N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]-2,6-difluorobenzamide

C21H12ClF2N3O2 — CID 24775152

IUPACN-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)cn1)c1c(F)cccc1F
InChIInChI=1S/C21H12ClF2N3O2/c22-15-6-4-12(21-25-8-9-29-21)10-14(15)13-5-7-18(26-11-13)27-20(28)19-16(23)2-1-3-17(19)24/h1-11H,(H,26,27,28)
InChIKeyYFKOUVPVUCHLRB-UHFFFAOYSA-N
MW411.80 g/mol
LogP5.59
Rot. Bonds4

About N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]-2,6-difluorobenzamide

N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]-2,6-difluorobenzamide (PubChem CID 24775152) has the molecular formula C21H12ClF2N3O2 and a molecular weight of 411.80 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]-2,6-difluorobenzamide
PubChem CID24775152
Molecular FormulaC21H12ClF2N3O2
Molecular Weight411.80 g/mol
Exact Mass411.06
IUPAC NameN-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)cn1)c1c(F)cccc1F
InChIInChI=1S/C21H12ClF2N3O2/c22-15-6-4-12(21-25-8-9-29-21)10-14(15)13-5-7-18(26-11-13)27-20(28)19-16(23)2-1-3-17(19)24/h1-11H,(H,26,27,28)
InChIKeyYFKOUVPVUCHLRB-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

N-[5-(5-carbamoyl-2-chlorophenyl)-3-(2,2,2-trifluoroethoxy)pyridin-2-yl]-2-chloro-6-fluoro-N-methylbenzamide
CID 90021191
US20230348426, Example 43
CID 169319472
N-[5-(5-carbamoyl-2-chlorophenyl)-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-chloro-6-fluoro-N-(trideuteriomethyl)benzamide
CID 72721804
N-(2-(2-fluoro-3-(trifluoromethyl)phenyl)oxazol-4-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11633622
N-(2-(4-fluoro-3-(trifluoromethyl)phenyl)oxazol-4-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11719192
N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-5-phenyloxazol-2-amine
CID 16743760
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide
CID 18136880
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-2-pyridinyl)propanamide
CID 40114441
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-2-pyridinyl)propanamide
CID 17453135
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide
CID 29466298
2-(4-butylphenyl)-N-pyridin-2-yl-1,3-oxazol-4-amine
CID 56669257
3-chloro-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 71896844

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]-2,6-difluorobenzamide (CID 24775152) is N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]-2,6-difluorobenzamide is O=C(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)cn1)c1c(F)cccc1F.
What is the InChIKey of N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]-2,6-difluorobenzamide?
The InChIKey is YFKOUVPVUCHLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClF2N3O2/c22-15-6-4-12(21-25-8-9-29-21)10-14(15)13-5-7-18(26-11-13)27-20(28)19-16(23)2-1-3-17(19)24/h1-11H,(H,26,27,28).
What are the key properties of N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]-2,6-difluorobenzamide?
N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]-2,6-difluorobenzamide 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-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]-2,6-difluorobenzamide is sourced from PubChem (CID 24775152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).