N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-carboxamide

C21H12ClF2N3O2 — CID 11582319

IUPACN-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)cc1)c1c(F)cncc1F
InChIInChI=1S/C21H12ClF2N3O2/c22-16-6-3-13(21-26-7-8-29-21)9-15(16)12-1-4-14(5-2-12)27-20(28)19-17(23)10-25-11-18(19)24/h1-11H,(H,27,28)
InChIKeyVJEMLWSCIVANKS-UHFFFAOYSA-N
MW411.80 g/mol
LogP5.59
Rot. Bonds4

About N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-carboxamide

N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-carboxamide (PubChem CID 11582319) has the molecular formula C21H12ClF2N3O2 and a molecular weight of 411.80 g/mol. Its IUPAC name is N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-carboxamide
PubChem CID11582319
Molecular FormulaC21H12ClF2N3O2
Molecular Weight411.80 g/mol
Exact Mass411.06
IUPAC NameN-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)cc1)c1c(F)cncc1F
InChIInChI=1S/C21H12ClF2N3O2/c22-16-6-3-13(21-26-7-8-29-21)9-15(16)12-1-4-14(5-2-12)27-20(28)19-17(23)10-25-11-18(19)24/h1-11H,(H,27,28)
InChIKeyVJEMLWSCIVANKS-UHFFFAOYSA-N
XLogP5.59
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.80
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-(5-phenyloxazol-2-yl)phenyl)benzamide
CID 44549004
4-chloro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(4-pyridin-3-yl-1,3-oxazol-2-yl)benzamide
CID 134141181
3-chloro-N-(3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl)benzamide
CID 118862316
2-chloro-4-fluoro-5-nitro-N-[3-(1,3-oxazol-2-yl)phenyl]benzamide
CID 172455017
US12581252, Example I-915
CID 166821614
5-(4-Chlorophenyl)-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 8464988
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 8846346
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 16583617
N-(2-chlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590372
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2,4-difluorophenyl)propanamide
CID 16591135
2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 16597244
2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 16597273

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-carboxamide?
The IUPAC name of N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-carboxamide (CID 11582319) is N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-carboxamide?
The canonical SMILES for N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-carboxamide is O=C(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)cc1)c1c(F)cncc1F.
What is the InChIKey of N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-carboxamide?
The InChIKey is VJEMLWSCIVANKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClF2N3O2/c22-16-6-3-13(21-26-7-8-29-21)9-15(16)12-1-4-14(5-2-12)27-20(28)19-17(23)10-25-11-18(19)24/h1-11H,(H,27,28).
What are the key properties of N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-carboxamide?
N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-carboxamide has a molecular weight of 411.80 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-carboxamide is sourced from PubChem (CID 11582319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).