4-chloro-2-fluoro-N-[6-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide

C22H15ClFN3O2 — CID 24776096

IUPAC4-chloro-2-fluoro-N-[6-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide
SMILESCc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C22H15ClFN3O2/c1-13-2-3-14(22-25-8-9-29-22)10-18(13)20-7-5-16(12-26-20)27-21(28)17-6-4-15(23)11-19(17)24/h2-12H,1H3,(H,27,28)
InChIKeyQUJZZPBXIOTICW-UHFFFAOYSA-N
MW407.83 g/mol
LogP5.76
Rot. Bonds4

About 4-chloro-2-fluoro-N-[6-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide

4-chloro-2-fluoro-N-[6-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide (PubChem CID 24776096) has the molecular formula C22H15ClFN3O2 and a molecular weight of 407.83 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[6-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[6-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide
PubChem CID24776096
Molecular FormulaC22H15ClFN3O2
Molecular Weight407.83 g/mol
Exact Mass407.08
IUPAC Name4-chloro-2-fluoro-N-[6-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide
SMILESCc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C22H15ClFN3O2/c1-13-2-3-14(22-25-8-9-29-22)10-18(13)20-7-5-16(12-26-20)27-21(28)17-6-4-15(23)11-19(17)24/h2-12H,1H3,(H,27,28)
InChIKeyQUJZZPBXIOTICW-UHFFFAOYSA-N
XLogP5.76
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.83
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
6-(3-Chloro-phenyl)-5-(tetrahydro-furan-2-yl)-pyridine-2-carboxylic acid (1-methyl-1-oxazol-2-yl-ethyl)-amide
CID 71093645
2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl]-N-[4-(1,3-oxazol-2-yl)phenyl]butanamide
CID 117622969
US10421742, Example 10
CID 135205982
2-N-[(2S)-3-amino-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methoxy]butan-2-yl]-6-(1,3-oxazol-2-yl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 10077791
1-N-[(2S)-3-amino-1-(3,5-difluorophenyl)-4-[(6-ethyl-2-pyridinyl)methoxy]butan-2-yl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 10100575
4-N-[(2S)-3-amino-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methoxy]butan-2-yl]-6-(1,3-oxazol-2-yl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 10349106
1-N-[(2S)-3-amino-1-(3,5-difluorophenyl)-4-[(4-ethyl-2-pyridinyl)methoxy]butan-2-yl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 10349107
N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide
CID 11494941
3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
CID 11530903
3,5-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide
CID 11552887
2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide
CID 11574645

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[6-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[6-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide (CID 24776096) is 4-chloro-2-fluoro-N-[6-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[6-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[6-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide is Cc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)c2ccc(Cl)cc2F)cn1.
What is the InChIKey of 4-chloro-2-fluoro-N-[6-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide?
The InChIKey is QUJZZPBXIOTICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN3O2/c1-13-2-3-14(22-25-8-9-29-22)10-18(13)20-7-5-16(12-26-20)27-21(28)17-6-4-15(23)11-19(17)24/h2-12H,1H3,(H,27,28).
What are the key properties of 4-chloro-2-fluoro-N-[6-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide?
4-chloro-2-fluoro-N-[6-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide has a molecular weight of 407.83 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[6-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide is sourced from PubChem (CID 24776096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).