4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylbenzamide;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-7H-purin-2-amine;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]benzoate;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]benzoate

C112H91Cl5F5N21O12S6 — CID 159992563

IUPAC4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylbenzamide;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-7H-purin-2-amine;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]benzoate;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]benzoate
SMILESCCNC(=O)c1ccc(NCc2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cn2)cc1.COC(=O)c1ccc(N(C)Cc2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cn2)cc1.COC(=O)c1ccc(NCc2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cn2)cc1.CS(=O)(=O)N1CCC(NCc2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cn2)CC1.Fc1ccc(-c2nc(CNc3ncc4[nH]cnc4n3)c(Sc3ccc(Cl)cn3)o2)cc1
InChIInChI=1S/C24H20ClFN4O2S.C24H19ClFN3O3S.C23H17ClFN3O3S.C21H22ClFN4O3S2.C20H13ClFN7OS/c1-2-27-22(31)15-5-10-19(11-6-15)28-14-20-24(33-21-12-7-17(25)13-29-21)32-23(30-20)16-3-8-18(26)9-4-16;1-29(19-10-5-16(6-11-19)23(30)31-2)14-20-24(33-21-12-7-17(25)13-27-21)32-22(28-20)15-3-8-18(26)9-4-15;1-30-22(29)15-4-9-18(10-5-15)26-13-19-23(32-20-11-6-16(24)12-27-20)31-21(28-19)14-2-7-17(25)8-3-14;1-32(28,29)27-10-8-17(9-11-27)24-13-18-21(31-19-7-4-15(22)12-25-19)30-20(26-18)14-2-5-16(23)6-3-14;21-12-3-6-16(23-7-12)31-19-15(28-18(30-19)11-1-4-13(22)5-2-11)9-25-20-24-8-14-17(29-20)27-10-26-14/h3-13,28H,2,14H2,1H3,(H,27,31);3-13H,14H2,1-2H3;2-12,26H,13H2,1H3;2-7,12,17,24H,8-11,13H2,1H3;1-8,10H,9H2,(H2,24,25,26,27,29)
InChIKeyOHDCKLOMDVRQEW-UHFFFAOYSA-N
MW2387.75 g/mol
LogP27.38
Rot. Bonds35

About 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylbenzamide;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-7H-purin-2-amine;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]benzoate;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]benzoate

4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylbenzamide;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-7H-purin-2-amine;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]benzoate;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]benzoate (PubChem CID 159992563) has the molecular formula C112H91Cl5F5N21O12S6 and a molecular weight of 2387.75 g/mol. Its IUPAC name is 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylbenzamide;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-7H-purin-2-amine;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]benzoate;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]benzoate.

Molecular Properties

Compound Name4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylbenzamide;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-7H-purin-2-amine;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]benzoate;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]benzoate
PubChem CID159992563
Molecular FormulaC112H91Cl5F5N21O12S6
Molecular Weight2387.75 g/mol
Exact Mass2383.38
IUPAC Name4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylbenzamide;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-7H-purin-2-amine;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]benzoate;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]benzoate
SMILESCCNC(=O)c1ccc(NCc2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cn2)cc1.COC(=O)c1ccc(N(C)Cc2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cn2)cc1.COC(=O)c1ccc(NCc2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cn2)cc1.CS(=O)(=O)N1CCC(NCc2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cn2)CC1.Fc1ccc(-c2nc(CNc3ncc4[nH]cnc4n3)c(Sc3ccc(Cl)cn3)o2)cc1
InChIInChI=1S/C24H20ClFN4O2S.C24H19ClFN3O3S.C23H17ClFN3O3S.C21H22ClFN4O3S2.C20H13ClFN7OS/c1-2-27-22(31)15-5-10-19(11-6-15)28-14-20-24(33-21-12-7-17(25)13-29-21)32-23(30-20)16-3-8-18(26)9-4-16;1-29(19-10-5-16(6-11-19)23(30)31-2)14-20-24(33-21-12-7-17(25)13-27-21)32-22(28-20)15-3-8-18(26)9-4-15;1-30-22(29)15-4-9-18(10-5-15)26-13-19-23(32-20-11-6-16(24)12-27-20)31-21(28-19)14-2-7-17(25)8-3-14;1-32(28,29)27-10-8-17(9-11-27)24-13-18-21(31-19-7-4-15(22)12-25-19)30-20(26-18)14-2-5-16(23)6-3-14;21-12-3-6-16(23-7-12)31-19-15(28-18(30-19)11-1-4-13(22)5-2-11)9-25-20-24-8-14-17(29-20)27-10-26-14/h3-13,28H,2,14H2,1H3,(H,27,31);3-13H,14H2,1-2H3;2-12,26H,13H2,1H3;2-7,12,17,24H,8-11,13H2,1H3;1-8,10H,9H2,(H2,24,25,26,27,29)
InChIKeyOHDCKLOMDVRQEW-UHFFFAOYSA-N
XLogP27.38
TPSA419.50 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds35
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002387.75
LogP ≤ 527.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Analyze 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylbenzamide;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-7H-purin-2-amine;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]benzoate;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]benzoate with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-deuterio-4-fluorophenyl]pyridine-2-carboxamide;(5S)-5-[3-chloro-5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[2,3-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5S)-5-[3-chloro-5-(1H-pyrrolo[3,2-c]pyridin-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-phenylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 158713414
5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-1,3-oxazole-4-carboxamide;5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-1,3-oxazole-4-carboxamide;5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-1,3-oxazole-4-carboxamide;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]benzoate
CID 157932506
(E)-4-(dimethylamino)-N-[4-[6-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]-7H-purin-8-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;N-[4-[7-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-ynamide;N-[4-[6-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]-7H-purin-8-yl]phenyl]but-2-ynamide;N-[4-[7-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-ynamide
CID 160187315
4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]cyclohexan-1-ol;6-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylpyridine-3-carboxamide;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1H-indazol-5-amine;ethyl 6-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]pyridine-3-carboxylate;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]cyclohexane-1-carboxylate
CID 161455532
(2S)-2-[[8-[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]-7H-purin-6-yl]amino]-2-phenylacetic acid;(2S)-2-[[2-[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]amino]-2-phenylacetic acid;N-[4-[7-[[(1S)-2-hydroxy-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-ynamide;(2S)-2-phenyl-2-[[2-[4-(prop-2-enoylamino)phenyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-yl]amino]acetic acid;(2S)-2-phenyl-2-[[8-[4-(prop-2-enoylamino)phenyl]-7H-purin-6-yl]amino]acetic acid;(2S)-2-phenyl-2-[[2-[4-(prop-2-enoylamino)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]amino]acetic acid
CID 161908831
3-[2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one;5-chloro-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-(2-propan-2-ylsulfinylphenyl)pyrimidine-2,4-diamine;1-(4-fluorophenyl)-3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]pyridin-2-one;(5-methyl-1H-indol-2-yl)-[(3R)-1'-piperidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
CID 167590770

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylbenzamide;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-7H-purin-2-amine;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]benzoate;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]benzoate?
The IUPAC name of 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylbenzamide;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-7H-purin-2-amine;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]benzoate;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]benzoate (CID 159992563) is 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylbenzamide;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-7H-purin-2-amine;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]benzoate;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]benzoate.
What is the SMILES notation for 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylbenzamide;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-7H-purin-2-amine;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]benzoate;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]benzoate?
The canonical SMILES for 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylbenzamide;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-7H-purin-2-amine;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]benzoate;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]benzoate is CCNC(=O)c1ccc(NCc2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cn2)cc1.COC(=O)c1ccc(N(C)Cc2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cn2)cc1.COC(=O)c1ccc(NCc2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cn2)cc1.CS(=O)(=O)N1CCC(NCc2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cn2)CC1.Fc1ccc(-c2nc(CNc3ncc4[nH]cnc4n3)c(Sc3ccc(Cl)cn3)o2)cc1.
What is the InChIKey of 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylbenzamide;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-7H-purin-2-amine;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]benzoate;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]benzoate?
The InChIKey is OHDCKLOMDVRQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O2S.C24H19ClFN3O3S.C23H17ClFN3O3S.C21H22ClFN4O3S2.C20H13ClFN7OS/c1-2-27-22(31)15-5-10-19(11-6-15)28-14-20-24(33-21-12-7-17(25)13-29-21)32-23(30-20)16-3-8-18(26)9-4-16;1-29(19-10-5-16(6-11-19)23(30)31-2)14-20-24(33-21-12-7-17(25)13-27-21)32-22(28-20)15-3-8-18(26)9-4-15;1-30-22(29)15-4-9-18(10-5-15)26-13-19-23(32-20-11-6-16(24)12-27-20)31-21(28-19)14-2-7-17(25)8-3-14;1-32(28,29)27-10-8-17(9-11-27)24-13-18-21(31-19-7-4-15(22)12-25-19)30-20(26-18)14-2-5-16(23)6-3-14;21-12-3-6-16(23-7-12)31-19-15(28-18(30-19)11-1-4-13(22)5-2-11)9-25-20-24-8-14-17(29-20)27-10-26-14/h3-13,28H,2,14H2,1H3,(H,27,31);3-13H,14H2,1-2H3;2-12,26H,13H2,1H3;2-7,12,17,24H,8-11,13H2,1H3;1-8,10H,9H2,(H2,24,25,26,27,29).
What are the key properties of 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylbenzamide;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-7H-purin-2-amine;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]benzoate;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]benzoate?
4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylbenzamide;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-7H-purin-2-amine;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]benzoate;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]benzoate has a molecular weight of 2387.75 g/mol, XLogP of 27.38, 35 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylbenzamide;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine;N-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-7H-purin-2-amine;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]benzoate;methyl 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]benzoate is sourced from PubChem (CID 159992563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).