3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide

C11H8ClFN2O2 — CID 110764772

IUPAC3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C11H8ClFN2O2/c1-6-4-10(15-17-6)14-11(16)7-2-3-9(13)8(12)5-7/h2-5H,1H3,(H,14,15,16)
InChIKeyIJVQYGZBMCSTKU-UHFFFAOYSA-N
MW254.65 g/mol
LogP3.03
Rot. Bonds2

About 3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide

3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 110764772) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID110764772
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Name3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C11H8ClFN2O2/c1-6-4-10(15-17-6)14-11(16)7-2-3-9(13)8(12)5-7/h2-5H,1H3,(H,14,15,16)
InChIKeyIJVQYGZBMCSTKU-UHFFFAOYSA-N
XLogP3.03
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-chloro-4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050037
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47245192
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955334
1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050241
3,4-dichloro-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051727
(E)-3-[2-chloro-4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 81294234
4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide
CID 3170438
3-[2-fluoro-4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 76913960
N-(3-chloro-4-fluorophenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 7959729
2-(3-chloro-4-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109317346
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
3-chloro-N-(6-chloropyridazin-3-yl)-4-fluorobenzamide
CID 115737291

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 110764772) is 3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccc(F)c(Cl)c2)no1.
What is the InChIKey of 3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is IJVQYGZBMCSTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c1-6-4-10(15-17-6)14-11(16)7-2-3-9(13)8(12)5-7/h2-5H,1H3,(H,14,15,16).
What are the key properties of 3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 254.65 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 110764772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).