5-cyclopropyl-N-[(3S,4S)-1-[(3,5-dibromo-4-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[[4-(dimethylamino)phenyl]methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-4-methyl-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;N-[(3S,5R)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

C141H186Br2N24O18S2 — CID 159407901

IUPAC5-cyclopropyl-N-[(3S,4S)-1-[(3,5-dibromo-4-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[[4-(dimethylamino)phenyl]methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-4-methyl-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;N-[(3S,5R)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESC=S1(=O)CCC(N2C[C@@H](C)[C@H](NC(=O)c3cc(C4CC4)on3)C2)CC1.C=S1(=O)CCC(N2C[C@H](NC(=O)c3cc(C4CC4)on3)[C@@H](C)C2)CC1.CC(C)c1cc(C(=O)N[C@H]2C[C@@H](CCC(=O)c3ccccc3)N(C3CC3)C2)no1.COc1ccc(CN2C[C@H](C)[C@H](NC(=O)c3cc(C4CC4)on3)C2)cc1.C[C@H]1CN(Cc2c(Br)cncc2Br)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C23H30N4O2.C23H29N3O3.C21H28N4O2.C20H25N3O3.C18H20Br2N4O2.2C18H27N3O3S/c1-16-13-26(14-17-4-8-19(9-5-17)27-10-2-3-11-27)15-21(16)24-23(28)20-12-22(29-25-20)18-6-7-18;1-15(2)22-13-20(25-29-22)23(28)24-17-12-19(26(14-17)18-8-9-18)10-11-21(27)16-6-4-3-5-7-16;1-14-11-25(12-15-4-8-17(9-5-15)24(2)3)13-19(14)22-21(26)18-10-20(27-23-18)16-6-7-16;1-13-10-23(11-14-3-7-16(25-2)8-4-14)12-18(13)21-20(24)17-9-19(26-22-17)15-5-6-15;1-10-7-24(8-12-13(19)5-21-6-14(12)20)9-16(10)22-18(25)15-4-17(26-23-15)11-2-3-11;2*1-12-10-21(14-5-7-25(2,23)8-6-14)11-16(12)19-18(22)15-9-17(24-20-15)13-3-4-13/h4-5,8-9,12,16,18,21H,2-3,6-7,10-11,13-15H2,1H3,(H,24,28);3-7,13,15,17-19H,8-12,14H2,1-2H3,(H,24,28);4-5,8-10,14,16,19H,6-7,11-13H2,1-3H3,(H,22,26);3-4,7-9,13,15,18H,5-6,10-12H2,1-2H3,(H,21,24);4-6,10-11,16H,2-3,7-9H2,1H3,(H,22,25);2*9,12-14,16H,2-8,10-11H2,1H3,(H,19,22)/t16-,21+;17-,19+;14-,19+;13-,18+;10-,16+;2*12-,14?,16-,25?/m0000010/s1
InChIKeyLOESPFIPXNDSKV-HPZAEBQOSA-N
MW2729.13 g/mol
LogP19.56
Rot. Bonds39

About 5-cyclopropyl-N-[(3S,4S)-1-[(3,5-dibromo-4-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[[4-(dimethylamino)phenyl]methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-4-methyl-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;N-[(3S,5R)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(3S,4S)-1-[(3,5-dibromo-4-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[[4-(dimethylamino)phenyl]methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-4-methyl-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;N-[(3S,5R)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 159407901) has the molecular formula C141H186Br2N24O18S2 and a molecular weight of 2729.13 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3S,4S)-1-[(3,5-dibromo-4-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[[4-(dimethylamino)phenyl]methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-4-methyl-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;N-[(3S,5R)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3S,4S)-1-[(3,5-dibromo-4-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[[4-(dimethylamino)phenyl]methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-4-methyl-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;N-[(3S,5R)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID159407901
Molecular FormulaC141H186Br2N24O18S2
Molecular Weight2729.13 g/mol
Exact Mass2725.22
IUPAC Name5-cyclopropyl-N-[(3S,4S)-1-[(3,5-dibromo-4-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[[4-(dimethylamino)phenyl]methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-4-methyl-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;N-[(3S,5R)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESC=S1(=O)CCC(N2C[C@@H](C)[C@H](NC(=O)c3cc(C4CC4)on3)C2)CC1.C=S1(=O)CCC(N2C[C@H](NC(=O)c3cc(C4CC4)on3)[C@@H](C)C2)CC1.CC(C)c1cc(C(=O)N[C@H]2C[C@@H](CCC(=O)c3ccccc3)N(C3CC3)C2)no1.COc1ccc(CN2C[C@H](C)[C@H](NC(=O)c3cc(C4CC4)on3)C2)cc1.C[C@H]1CN(Cc2c(Br)cncc2Br)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C23H30N4O2.C23H29N3O3.C21H28N4O2.C20H25N3O3.C18H20Br2N4O2.2C18H27N3O3S/c1-16-13-26(14-17-4-8-19(9-5-17)27-10-2-3-11-27)15-21(16)24-23(28)20-12-22(29-25-20)18-6-7-18;1-15(2)22-13-20(25-29-22)23(28)24-17-12-19(26(14-17)18-8-9-18)10-11-21(27)16-6-4-3-5-7-16;1-14-11-25(12-15-4-8-17(9-5-15)24(2)3)13-19(14)22-21(26)18-10-20(27-23-18)16-6-7-16;1-13-10-23(11-14-3-7-16(25-2)8-4-14)12-18(13)21-20(24)17-9-19(26-22-17)15-5-6-15;1-10-7-24(8-12-13(19)5-21-6-14(12)20)9-16(10)22-18(25)15-4-17(26-23-15)11-2-3-11;2*1-12-10-21(14-5-7-25(2,23)8-6-14)11-16(12)19-18(22)15-9-17(24-20-15)13-3-4-13/h4-5,8-9,12,16,18,21H,2-3,6-7,10-11,13-15H2,1H3,(H,24,28);3-7,13,15,17-19H,8-12,14H2,1-2H3,(H,24,28);4-5,8-10,14,16,19H,6-7,11-13H2,1-3H3,(H,22,26);3-4,7-9,13,15,18H,5-6,10-12H2,1-2H3,(H,21,24);4-6,10-11,16H,2-3,7-9H2,1H3,(H,22,25);2*9,12-14,16H,2-8,10-11H2,1H3,(H,19,22)/t16-,21+;17-,19+;14-,19+;13-,18+;10-,16+;2*12-,14?,16-,25?/m0000010/s1
InChIKeyLOESPFIPXNDSKV-HPZAEBQOSA-N
XLogP19.56
TPSA488.40 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds39
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002729.13
LogP ≤ 519.56
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-cyclopropyl-N-[(3S,4S)-1-[(3,5-dibromo-4-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[[4-(dimethylamino)phenyl]methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-4-methyl-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;N-[(3S,5R)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3S,4S)-1-[(3,5-dibromo-4-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[[4-(dimethylamino)phenyl]methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-4-methyl-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;N-[(3S,5R)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3S,4S)-1-[(3,5-dibromo-4-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[[4-(dimethylamino)phenyl]methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-4-methyl-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;N-[(3S,5R)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 159407901) is 5-cyclopropyl-N-[(3S,4S)-1-[(3,5-dibromo-4-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[[4-(dimethylamino)phenyl]methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-4-methyl-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;N-[(3S,5R)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3S,4S)-1-[(3,5-dibromo-4-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[[4-(dimethylamino)phenyl]methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-4-methyl-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;N-[(3S,5R)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3S,4S)-1-[(3,5-dibromo-4-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[[4-(dimethylamino)phenyl]methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-4-methyl-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;N-[(3S,5R)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is C=S1(=O)CCC(N2C[C@@H](C)[C@H](NC(=O)c3cc(C4CC4)on3)C2)CC1.C=S1(=O)CCC(N2C[C@H](NC(=O)c3cc(C4CC4)on3)[C@@H](C)C2)CC1.CC(C)c1cc(C(=O)N[C@H]2C[C@@H](CCC(=O)c3ccccc3)N(C3CC3)C2)no1.COc1ccc(CN2C[C@H](C)[C@H](NC(=O)c3cc(C4CC4)on3)C2)cc1.C[C@H]1CN(Cc2c(Br)cncc2Br)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@H]1NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[(3S,4S)-1-[(3,5-dibromo-4-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[[4-(dimethylamino)phenyl]methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-4-methyl-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;N-[(3S,5R)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is LOESPFIPXNDSKV-HPZAEBQOSA-N. The full InChI is InChI=1S/C23H30N4O2.C23H29N3O3.C21H28N4O2.C20H25N3O3.C18H20Br2N4O2.2C18H27N3O3S/c1-16-13-26(14-17-4-8-19(9-5-17)27-10-2-3-11-27)15-21(16)24-23(28)20-12-22(29-25-20)18-6-7-18;1-15(2)22-13-20(25-29-22)23(28)24-17-12-19(26(14-17)18-8-9-18)10-11-21(27)16-6-4-3-5-7-16;1-14-11-25(12-15-4-8-17(9-5-15)24(2)3)13-19(14)22-21(26)18-10-20(27-23-18)16-6-7-16;1-13-10-23(11-14-3-7-16(25-2)8-4-14)12-18(13)21-20(24)17-9-19(26-22-17)15-5-6-15;1-10-7-24(8-12-13(19)5-21-6-14(12)20)9-16(10)22-18(25)15-4-17(26-23-15)11-2-3-11;2*1-12-10-21(14-5-7-25(2,23)8-6-14)11-16(12)19-18(22)15-9-17(24-20-15)13-3-4-13/h4-5,8-9,12,16,18,21H,2-3,6-7,10-11,13-15H2,1H3,(H,24,28);3-7,13,15,17-19H,8-12,14H2,1-2H3,(H,24,28);4-5,8-10,14,16,19H,6-7,11-13H2,1-3H3,(H,22,26);3-4,7-9,13,15,18H,5-6,10-12H2,1-2H3,(H,21,24);4-6,10-11,16H,2-3,7-9H2,1H3,(H,22,25);2*9,12-14,16H,2-8,10-11H2,1H3,(H,19,22)/t16-,21+;17-,19+;14-,19+;13-,18+;10-,16+;2*12-,14?,16-,25?/m0000010/s1.
What are the key properties of 5-cyclopropyl-N-[(3S,4S)-1-[(3,5-dibromo-4-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[[4-(dimethylamino)phenyl]methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-4-methyl-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;N-[(3S,5R)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(3S,4S)-1-[(3,5-dibromo-4-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[[4-(dimethylamino)phenyl]methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-4-methyl-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;N-[(3S,5R)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 2729.13 g/mol, XLogP of 19.56, 39 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3S,4S)-1-[(3,5-dibromo-4-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[[4-(dimethylamino)phenyl]methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4S)-4-methyl-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;N-[(3S,5R)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 159407901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).