4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]butanamide

C19H16F3N3O2 — CID 17101227

IUPAC4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESO=C(CCCc1nc(-c2ccccc2)no1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)14-9-4-5-10-15(14)23-16(26)11-6-12-17-24-18(25-27-17)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,23,26)
InChIKeyIIXIHAWLQVOPKH-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.72
Rot. Bonds6

About 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]butanamide

4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]butanamide (PubChem CID 17101227) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
PubChem CID17101227
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESO=C(CCCc1nc(-c2ccccc2)no1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)14-9-4-5-10-15(14)23-16(26)11-6-12-17-24-18(25-27-17)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,23,26)
InChIKeyIIXIHAWLQVOPKH-UHFFFAOYSA-N
XLogP4.72
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide
CID 38886258
2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 20918614
N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 17101225
N-(2-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160338
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101498
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16566199
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101291
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]butanamide
CID 55990026
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 46453328
4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 24949375
N-(2-fluoro-5-methylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18197998

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]butanamide (CID 17101227) is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]butanamide is O=C(CCCc1nc(-c2ccccc2)no1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]butanamide?
The InChIKey is IIXIHAWLQVOPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c20-19(21,22)14-9-4-5-10-15(14)23-16(26)11-6-12-17-24-18(25-27-17)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,23,26).
What are the key properties of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]butanamide?
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]butanamide has a molecular weight of 375.35 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 17101227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).