(1S)-N-[[1-(1,2-benzoxazol-3-yl)cyclobutyl]methyl]-2-phenylcyclopropan-1-amine;(1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine;3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzoic acid;[2-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl] formate;bis(3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylic acid);bis(4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine);(1S)-2-phenyl-N-[[1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]cyclopropan-1-amine

C236H269ClN38O19 — CID 158029967

IUPAC(1S)-N-[[1-(1,2-benzoxazol-3-yl)cyclobutyl]methyl]-2-phenylcyclopropan-1-amine;(1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine;3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzoic acid;[2-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl] formate;bis(3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylic acid);bis(4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine);(1S)-2-phenyl-N-[[1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]cyclopropan-1-amine
SMILESCc1oc(-c2ccc(Cl)cc2)nc1C1(CN[C@H]2CC2c2ccccc2)CC1.NC1CCC(c2nc(C3(CN[C@H]4CC4c4ccccc4)CC3)no2)CC1.NC1CCC(c2nc(C3(CN[C@H]4CC4c4ccccc4)CC3)no2)CC1.O=C(O)C1CC(c2nc(C3(CN[C@H]4CC4c4ccccc4)CC3)no2)C1.O=C(O)C1CC(c2nc(C3(CN[C@H]4CC4c4ccccc4)CC3)no2)C1.O=C(O)c1cccc(-c2nc(C3(CN[C@H]4CC4c4ccccc4)CCC3)no2)c1.O=COc1ccccc1-c1nc(C2(CN[C@H]3CC3c3ccccc3)CCC2)no1.c1ccc(C2C[C@@H]2NCC2(c3noc(-c4ccc(-n5cnnc5)cc4)n3)CCC2)cc1.c1ccc(C2C[C@@H]2NCC2(c3noc(C4CCCNC4)n3)CC2)cc1.c1ccc(C2C[C@@H]2NCC2(c3noc([C@@H]4CCCNC4)n3)CC2)cc1.c1ccc(C2C[C@@H]2NCC2(c3noc4ccccc34)CCC2)cc1
InChIInChI=1S/C24H24N6O.C23H23ClN2O.2C23H23N3O3.2C21H28N4O.C21H22N2O.2C20H26N4O.2C20H23N3O3/c1-2-5-17(6-3-1)20-13-21(20)25-14-24(11-4-12-24)23-28-22(31-29-23)18-7-9-19(10-8-18)30-15-26-27-16-30;1-15-21(26-22(27-15)17-7-9-18(24)10-8-17)23(11-12-23)14-25-20-13-19(20)16-5-3-2-4-6-16;27-21(28)17-9-4-8-16(12-17)20-25-22(26-29-20)23(10-5-11-23)14-24-19-13-18(19)15-6-2-1-3-7-15;27-15-28-20-10-5-4-9-17(20)21-25-22(26-29-21)23(11-6-12-23)14-24-19-13-18(19)16-7-2-1-3-8-16;2*22-16-8-6-15(7-9-16)19-24-20(25-26-19)21(10-11-21)13-23-18-12-17(18)14-4-2-1-3-5-14;1-2-7-15(8-3-1)17-13-18(17)22-14-21(11-6-12-21)20-16-9-4-5-10-19(16)24-23-20;2*1-2-5-14(6-3-1)16-11-17(16)22-13-20(8-9-20)19-23-18(25-24-19)15-7-4-10-21-12-15;2*24-18(25)14-8-13(9-14)17-22-19(23-26-17)20(6-7-20)11-21-16-10-15(16)12-4-2-1-3-5-12/h1-3,5-10,15-16,20-21,25H,4,11-14H2;2-10,19-20,25H,11-14H2,1H3;1-4,6-9,12,18-19,24H,5,10-11,13-14H2,(H,27,28);1-5,7-10,15,18-19,24H,6,11-14H2;2*1-5,15-18,23H,6-13,22H2;1-5,7-10,17-18,22H,6,11-14H2;2*1-3,5-6,15-17,21-22H,4,7-13H2;2*1-5,13-16,21H,6-11H2,(H,24,25)/t20?,21-;19?,20-;2*18?,19-;2*15?,16?,17?,18-;17?,18-;15?,16?,17-;15-,16?,17+;2*13?,14?,15?,16-/m00000000100/s1
InChIKeyFHBHXFJXFAQPEI-ZDIHNTOHSA-N
MW3977.45 g/mol
LogP39.14
Rot. Bonds71

About (1S)-N-[[1-(1,2-benzoxazol-3-yl)cyclobutyl]methyl]-2-phenylcyclopropan-1-amine;(1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine;3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzoic acid;[2-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl] formate;bis(3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylic acid);bis(4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine);(1S)-2-phenyl-N-[[1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]cyclopropan-1-amine

(1S)-N-[[1-(1,2-benzoxazol-3-yl)cyclobutyl]methyl]-2-phenylcyclopropan-1-amine;(1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine;3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzoic acid;[2-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl] formate;bis(3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylic acid);bis(4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine);(1S)-2-phenyl-N-[[1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]cyclopropan-1-amine (PubChem CID 158029967) has the molecular formula C236H269ClN38O19 and a molecular weight of 3977.45 g/mol. Its IUPAC name is (1S)-N-[[1-(1,2-benzoxazol-3-yl)cyclobutyl]methyl]-2-phenylcyclopropan-1-amine;(1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine;3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzoic acid;[2-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl] formate;bis(3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylic acid);bis(4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine);(1S)-2-phenyl-N-[[1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-N-[[1-(1,2-benzoxazol-3-yl)cyclobutyl]methyl]-2-phenylcyclopropan-1-amine;(1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine;3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzoic acid;[2-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl] formate;bis(3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylic acid);bis(4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine);(1S)-2-phenyl-N-[[1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]cyclopropan-1-amine
PubChem CID158029967
Molecular FormulaC236H269ClN38O19
Molecular Weight3977.45 g/mol
Exact Mass3974.09
IUPAC Name(1S)-N-[[1-(1,2-benzoxazol-3-yl)cyclobutyl]methyl]-2-phenylcyclopropan-1-amine;(1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine;3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzoic acid;[2-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl] formate;bis(3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylic acid);bis(4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine);(1S)-2-phenyl-N-[[1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]cyclopropan-1-amine
SMILESCc1oc(-c2ccc(Cl)cc2)nc1C1(CN[C@H]2CC2c2ccccc2)CC1.NC1CCC(c2nc(C3(CN[C@H]4CC4c4ccccc4)CC3)no2)CC1.NC1CCC(c2nc(C3(CN[C@H]4CC4c4ccccc4)CC3)no2)CC1.O=C(O)C1CC(c2nc(C3(CN[C@H]4CC4c4ccccc4)CC3)no2)C1.O=C(O)C1CC(c2nc(C3(CN[C@H]4CC4c4ccccc4)CC3)no2)C1.O=C(O)c1cccc(-c2nc(C3(CN[C@H]4CC4c4ccccc4)CCC3)no2)c1.O=COc1ccccc1-c1nc(C2(CN[C@H]3CC3c3ccccc3)CCC2)no1.c1ccc(C2C[C@@H]2NCC2(c3noc(-c4ccc(-n5cnnc5)cc4)n3)CCC2)cc1.c1ccc(C2C[C@@H]2NCC2(c3noc(C4CCCNC4)n3)CC2)cc1.c1ccc(C2C[C@@H]2NCC2(c3noc([C@@H]4CCCNC4)n3)CC2)cc1.c1ccc(C2C[C@@H]2NCC2(c3noc4ccccc34)CCC2)cc1
InChIInChI=1S/C24H24N6O.C23H23ClN2O.2C23H23N3O3.2C21H28N4O.C21H22N2O.2C20H26N4O.2C20H23N3O3/c1-2-5-17(6-3-1)20-13-21(20)25-14-24(11-4-12-24)23-28-22(31-29-23)18-7-9-19(10-8-18)30-15-26-27-16-30;1-15-21(26-22(27-15)17-7-9-18(24)10-8-17)23(11-12-23)14-25-20-13-19(20)16-5-3-2-4-6-16;27-21(28)17-9-4-8-16(12-17)20-25-22(26-29-20)23(10-5-11-23)14-24-19-13-18(19)15-6-2-1-3-7-15;27-15-28-20-10-5-4-9-17(20)21-25-22(26-29-21)23(11-6-12-23)14-24-19-13-18(19)16-7-2-1-3-8-16;2*22-16-8-6-15(7-9-16)19-24-20(25-26-19)21(10-11-21)13-23-18-12-17(18)14-4-2-1-3-5-14;1-2-7-15(8-3-1)17-13-18(17)22-14-21(11-6-12-21)20-16-9-4-5-10-19(16)24-23-20;2*1-2-5-14(6-3-1)16-11-17(16)22-13-20(8-9-20)19-23-18(25-24-19)15-7-4-10-21-12-15;2*24-18(25)14-8-13(9-14)17-22-19(23-26-17)20(6-7-20)11-21-16-10-15(16)12-4-2-1-3-5-12/h1-3,5-10,15-16,20-21,25H,4,11-14H2;2-10,19-20,25H,11-14H2,1H3;1-4,6-9,12,18-19,24H,5,10-11,13-14H2,(H,27,28);1-5,7-10,15,18-19,24H,6,11-14H2;2*1-5,15-18,23H,6-13,22H2;1-5,7-10,17-18,22H,6,11-14H2;2*1-3,5-6,15-17,21-22H,4,7-13H2;2*1-5,13-16,21H,6-11H2,(H,24,25)/t20?,21-;19?,20-;2*18?,19-;2*15?,16?,17?,18-;17?,18-;15?,16?,17-;15-,16?,17+;2*13?,14?,15?,16-/m00000000100/s1
InChIKeyFHBHXFJXFAQPEI-ZDIHNTOHSA-N
XLogP39.14
TPSA779.68 Ų
H-Bond Donors18
H-Bond Acceptors54
Rotatable Bonds71
Heavy Atoms294
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003977.45
LogP ≤ 539.14
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1054

Analyze (1S)-N-[[1-(1,2-benzoxazol-3-yl)cyclobutyl]methyl]-2-phenylcyclopropan-1-amine;(1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine;3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzoic acid;[2-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl] formate;bis(3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylic acid);bis(4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine);(1S)-2-phenyl-N-[[1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]cyclopropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[1-(1,2-benzoxazol-3-yl)cyclobutyl]methyl]-2-phenylcyclopropan-1-amine;(1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine;3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzoic acid;[2-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl] formate;bis(3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylic acid);bis(4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine);(1S)-2-phenyl-N-[[1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]cyclopropan-1-amine?
The IUPAC name of (1S)-N-[[1-(1,2-benzoxazol-3-yl)cyclobutyl]methyl]-2-phenylcyclopropan-1-amine;(1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine;3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzoic acid;[2-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl] formate;bis(3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylic acid);bis(4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine);(1S)-2-phenyl-N-[[1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]cyclopropan-1-amine (CID 158029967) is (1S)-N-[[1-(1,2-benzoxazol-3-yl)cyclobutyl]methyl]-2-phenylcyclopropan-1-amine;(1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine;3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzoic acid;[2-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl] formate;bis(3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylic acid);bis(4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine);(1S)-2-phenyl-N-[[1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for (1S)-N-[[1-(1,2-benzoxazol-3-yl)cyclobutyl]methyl]-2-phenylcyclopropan-1-amine;(1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine;3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzoic acid;[2-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl] formate;bis(3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylic acid);bis(4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine);(1S)-2-phenyl-N-[[1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]cyclopropan-1-amine?
The canonical SMILES for (1S)-N-[[1-(1,2-benzoxazol-3-yl)cyclobutyl]methyl]-2-phenylcyclopropan-1-amine;(1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine;3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzoic acid;[2-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl] formate;bis(3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylic acid);bis(4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine);(1S)-2-phenyl-N-[[1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]cyclopropan-1-amine is Cc1oc(-c2ccc(Cl)cc2)nc1C1(CN[C@H]2CC2c2ccccc2)CC1.NC1CCC(c2nc(C3(CN[C@H]4CC4c4ccccc4)CC3)no2)CC1.NC1CCC(c2nc(C3(CN[C@H]4CC4c4ccccc4)CC3)no2)CC1.O=C(O)C1CC(c2nc(C3(CN[C@H]4CC4c4ccccc4)CC3)no2)C1.O=C(O)C1CC(c2nc(C3(CN[C@H]4CC4c4ccccc4)CC3)no2)C1.O=C(O)c1cccc(-c2nc(C3(CN[C@H]4CC4c4ccccc4)CCC3)no2)c1.O=COc1ccccc1-c1nc(C2(CN[C@H]3CC3c3ccccc3)CCC2)no1.c1ccc(C2C[C@@H]2NCC2(c3noc(-c4ccc(-n5cnnc5)cc4)n3)CCC2)cc1.c1ccc(C2C[C@@H]2NCC2(c3noc(C4CCCNC4)n3)CC2)cc1.c1ccc(C2C[C@@H]2NCC2(c3noc([C@@H]4CCCNC4)n3)CC2)cc1.c1ccc(C2C[C@@H]2NCC2(c3noc4ccccc34)CCC2)cc1.
What is the InChIKey of (1S)-N-[[1-(1,2-benzoxazol-3-yl)cyclobutyl]methyl]-2-phenylcyclopropan-1-amine;(1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine;3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzoic acid;[2-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl] formate;bis(3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylic acid);bis(4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine);(1S)-2-phenyl-N-[[1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]cyclopropan-1-amine?
The InChIKey is FHBHXFJXFAQPEI-ZDIHNTOHSA-N. The full InChI is InChI=1S/C24H24N6O.C23H23ClN2O.2C23H23N3O3.2C21H28N4O.C21H22N2O.2C20H26N4O.2C20H23N3O3/c1-2-5-17(6-3-1)20-13-21(20)25-14-24(11-4-12-24)23-28-22(31-29-23)18-7-9-19(10-8-18)30-15-26-27-16-30;1-15-21(26-22(27-15)17-7-9-18(24)10-8-17)23(11-12-23)14-25-20-13-19(20)16-5-3-2-4-6-16;27-21(28)17-9-4-8-16(12-17)20-25-22(26-29-20)23(10-5-11-23)14-24-19-13-18(19)15-6-2-1-3-7-15;27-15-28-20-10-5-4-9-17(20)21-25-22(26-29-21)23(11-6-12-23)14-24-19-13-18(19)16-7-2-1-3-8-16;2*22-16-8-6-15(7-9-16)19-24-20(25-26-19)21(10-11-21)13-23-18-12-17(18)14-4-2-1-3-5-14;1-2-7-15(8-3-1)17-13-18(17)22-14-21(11-6-12-21)20-16-9-4-5-10-19(16)24-23-20;2*1-2-5-14(6-3-1)16-11-17(16)22-13-20(8-9-20)19-23-18(25-24-19)15-7-4-10-21-12-15;2*24-18(25)14-8-13(9-14)17-22-19(23-26-17)20(6-7-20)11-21-16-10-15(16)12-4-2-1-3-5-12/h1-3,5-10,15-16,20-21,25H,4,11-14H2;2-10,19-20,25H,11-14H2,1H3;1-4,6-9,12,18-19,24H,5,10-11,13-14H2,(H,27,28);1-5,7-10,15,18-19,24H,6,11-14H2;2*1-5,15-18,23H,6-13,22H2;1-5,7-10,17-18,22H,6,11-14H2;2*1-3,5-6,15-17,21-22H,4,7-13H2;2*1-5,13-16,21H,6-11H2,(H,24,25)/t20?,21-;19?,20-;2*18?,19-;2*15?,16?,17?,18-;17?,18-;15?,16?,17-;15-,16?,17+;2*13?,14?,15?,16-/m00000000100/s1.
What are the key properties of (1S)-N-[[1-(1,2-benzoxazol-3-yl)cyclobutyl]methyl]-2-phenylcyclopropan-1-amine;(1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine;3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzoic acid;[2-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl] formate;bis(3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylic acid);bis(4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine);(1S)-2-phenyl-N-[[1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]cyclopropan-1-amine?
(1S)-N-[[1-(1,2-benzoxazol-3-yl)cyclobutyl]methyl]-2-phenylcyclopropan-1-amine;(1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine;3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzoic acid;[2-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl] formate;bis(3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylic acid);bis(4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine);(1S)-2-phenyl-N-[[1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]cyclopropan-1-amine has a molecular weight of 3977.45 g/mol, XLogP of 39.14, 71 rotatable bonds, 18 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[1-(1,2-benzoxazol-3-yl)cyclobutyl]methyl]-2-phenylcyclopropan-1-amine;(1S)-N-[[1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine;3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzoic acid;[2-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenyl] formate;bis(3-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylic acid);bis(4-[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine);(1S)-2-phenyl-N-[[1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine;(1S)-2-phenyl-N-[[1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 158029967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).