N-(1,2-oxazol-4-yl)-2-(trifluoromethyl)benzamide

C11H7F3N2O2 — CID 71797723

IUPACN-(1,2-oxazol-4-yl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1cnoc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)9-4-2-1-3-8(9)10(17)16-7-5-15-18-6-7/h1-6H,(H,16,17)
InChIKeyTYYCFRRYGMBYFN-UHFFFAOYSA-N
MW256.18 g/mol
LogP2.95
Rot. Bonds2

About N-(1,2-oxazol-4-yl)-2-(trifluoromethyl)benzamide

N-(1,2-oxazol-4-yl)-2-(trifluoromethyl)benzamide (PubChem CID 71797723) has the molecular formula C11H7F3N2O2 and a molecular weight of 256.18 g/mol. Its IUPAC name is N-(1,2-oxazol-4-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1,2-oxazol-4-yl)-2-(trifluoromethyl)benzamide
PubChem CID71797723
Molecular FormulaC11H7F3N2O2
Molecular Weight256.18 g/mol
Exact Mass256.05
IUPAC NameN-(1,2-oxazol-4-yl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1cnoc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)9-4-2-1-3-8(9)10(17)16-7-5-15-18-6-7/h1-6H,(H,16,17)
InChIKeyTYYCFRRYGMBYFN-UHFFFAOYSA-N
XLogP2.95
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)benzamide
CID 79884775
2-(methylamino)-N-(1,2-oxazol-4-yl)benzamide
CID 62913787
N-(4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 28739363
[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
CID 18543447
N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide
CID 46530485
N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 1259866
N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 139177364
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
N-(3,5-dichloro-4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 108808083
N-(3-aminophenyl)-2-(trifluoromethyl)benzamide
CID 16774950
N-[4-(thiadiazol-5-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 84579277
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-4-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(1,2-oxazol-4-yl)-2-(trifluoromethyl)benzamide (CID 71797723) is N-(1,2-oxazol-4-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1,2-oxazol-4-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1,2-oxazol-4-yl)-2-(trifluoromethyl)benzamide is O=C(Nc1cnoc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(1,2-oxazol-4-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is TYYCFRRYGMBYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2/c12-11(13,14)9-4-2-1-3-8(9)10(17)16-7-5-15-18-6-7/h1-6H,(H,16,17).
What are the key properties of N-(1,2-oxazol-4-yl)-2-(trifluoromethyl)benzamide?
N-(1,2-oxazol-4-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 256.18 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-4-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 71797723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).