4-(1,2,4-oxadiazol-5-yl)-N-(3,3,3-trifluoropropyl)benzamide

C12H10F3N3O2 — CID 134350698

IUPAC4-(1,2,4-oxadiazol-5-yl)-N-(3,3,3-trifluoropropyl)benzamide
SMILESO=C(NCCC(F)(F)F)c1ccc(-c2ncno2)cc1
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)5-6-16-10(19)8-1-3-9(4-2-8)11-17-7-18-20-11/h1-4,7H,5-6H2,(H,16,19)
InChIKeyKSXLYUBZDVQFKO-UHFFFAOYSA-N
MW285.22 g/mol
LogP2.42
Rot. Bonds4

About 4-(1,2,4-oxadiazol-5-yl)-N-(3,3,3-trifluoropropyl)benzamide

4-(1,2,4-oxadiazol-5-yl)-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 134350698) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 4-(1,2,4-oxadiazol-5-yl)-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name4-(1,2,4-oxadiazol-5-yl)-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID134350698
Molecular FormulaC12H10F3N3O2
Molecular Weight285.22 g/mol
Exact Mass285.07
IUPAC Name4-(1,2,4-oxadiazol-5-yl)-N-(3,3,3-trifluoropropyl)benzamide
SMILESO=C(NCCC(F)(F)F)c1ccc(-c2ncno2)cc1
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)5-6-16-10(19)8-1-3-9(4-2-8)11-17-7-18-20-11/h1-4,7H,5-6H2,(H,16,19)
InChIKeyKSXLYUBZDVQFKO-UHFFFAOYSA-N
XLogP2.42
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylmethyl)-4-(1,2,4-oxadiazol-5-yl)benzamide
CID 167943425
6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 66465126
6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 63227522
4-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 79039211
4-(3-hydroxyprop-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide
CID 63227870
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide
CID 63227826
4-(4-hydroxybut-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide
CID 63228058
4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide
CID 81433410
4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide
CID 107029487
4-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 103799885
4-bromo-N-[3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propyl]benzamide;hydroiodide
CID 109471818

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-oxadiazol-5-yl)-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 4-(1,2,4-oxadiazol-5-yl)-N-(3,3,3-trifluoropropyl)benzamide (CID 134350698) is 4-(1,2,4-oxadiazol-5-yl)-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 4-(1,2,4-oxadiazol-5-yl)-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 4-(1,2,4-oxadiazol-5-yl)-N-(3,3,3-trifluoropropyl)benzamide is O=C(NCCC(F)(F)F)c1ccc(-c2ncno2)cc1.
What is the InChIKey of 4-(1,2,4-oxadiazol-5-yl)-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is KSXLYUBZDVQFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c13-12(14,15)5-6-16-10(19)8-1-3-9(4-2-8)11-17-7-18-20-11/h1-4,7H,5-6H2,(H,16,19).
What are the key properties of 4-(1,2,4-oxadiazol-5-yl)-N-(3,3,3-trifluoropropyl)benzamide?
4-(1,2,4-oxadiazol-5-yl)-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 285.22 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-oxadiazol-5-yl)-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 134350698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).