N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide

C22H14Cl2FN3O2 — CID 130289320

IUPACN-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H](c1ccc(Cl)cc1)c1ncc(Cl)cc1F)c1cc(-c2ccccc2)on1
InChIInChI=1S/C22H14Cl2FN3O2/c23-15-8-6-14(7-9-15)20(21-17(25)10-16(24)12-26-21)27-22(29)18-11-19(30-28-18)13-4-2-1-3-5-13/h1-12,20H,(H,27,29)/t20-/m0/s1
InChIKeyHRGSWNMXCMFBHF-FQEVSTJZSA-N
MW442.28 g/mol
LogP5.70
Rot. Bonds5

About N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 130289320) has the molecular formula C22H14Cl2FN3O2 and a molecular weight of 442.28 g/mol. Its IUPAC name is N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID130289320
Molecular FormulaC22H14Cl2FN3O2
Molecular Weight442.28 g/mol
Exact Mass441.04
IUPAC NameN-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H](c1ccc(Cl)cc1)c1ncc(Cl)cc1F)c1cc(-c2ccccc2)on1
InChIInChI=1S/C22H14Cl2FN3O2/c23-15-8-6-14(7-9-15)20(21-17(25)10-16(24)12-26-21)27-22(29)18-11-19(30-28-18)13-4-2-1-3-5-13/h1-12,20H,(H,27,29)/t20-/m0/s1
InChIKeyHRGSWNMXCMFBHF-FQEVSTJZSA-N
XLogP5.70
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.28
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4S)-1-cyclohexyl-3-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678041
5-phenyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973877
N-(2-chloropyridin-3-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3604840
N-(2-chloropyridin-3-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3586460
5-(4-chlorophenyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 15988868
N-(2-chloro(3-pyridyl))[5-(4-hydroxyphenyl)isoxazol-3-yl]carboxamide
CID 135693609
5-phenyl-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973868
(3S,6R)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-3-isobutyl-6-(1H-pyrrol-2-yl)piperazin-2-one
CID 68158217
methyl N-[(10R,14S)-14-[[5-(3-chloro-2-fluorophenyl)-4-methyl-1,2-oxazole-3-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate
CID 71263010
N-[(3S,4S)-1-cyclohexyl-3-(pyridin-2-ylmethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141677967
N-[(3R,4R)-1-cyclohexyl-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141677971
N-[(3S,4S)-1-cyclohexyl-3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141677978

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 130289320) is N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(N[C@@H](c1ccc(Cl)cc1)c1ncc(Cl)cc1F)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is HRGSWNMXCMFBHF-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H14Cl2FN3O2/c23-15-8-6-14(7-9-15)20(21-17(25)10-16(24)12-26-21)27-22(29)18-11-19(30-28-18)13-4-2-1-3-5-13/h1-12,20H,(H,27,29)/t20-/m0/s1.
What are the key properties of N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 442.28 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130289320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).