N-(2-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

C14H16FN3O2 — CID 47180517

IUPACN-(2-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1ccc(NC(=O)CCCc2nc(C)no2)c(F)c1
InChIInChI=1S/C14H16FN3O2/c1-9-6-7-12(11(15)8-9)17-13(19)4-3-5-14-16-10(2)18-20-14/h6-8H,3-5H2,1-2H3,(H,17,19)
InChIKeyFBJDZSATJYBTNV-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.79
Rot. Bonds5

About N-(2-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

N-(2-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 47180517) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID47180517
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-(2-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1ccc(NC(=O)CCCc2nc(C)no2)c(F)c1
InChIInChI=1S/C14H16FN3O2/c1-9-6-7-12(11(15)8-9)17-13(19)4-3-5-14-16-10(2)18-20-14/h6-8H,3-5H2,1-2H3,(H,17,19)
InChIKeyFBJDZSATJYBTNV-UHFFFAOYSA-N
XLogP2.79
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-4-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86917581
N-(2,4-dimethylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2981927
N-(6-fluoro-5-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 136569310
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide
CID 47208997
N-(4-bromo-3-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 47180626
4-(2-fluoro-4-methylanilino)-4-oxobutanoic acid
CID 43396222
N-(2,4-dimethylphenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 17101412
N-[4-(difluoromethylsulfanyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 51082840
N-[3-[(4-fluorophenyl)methoxy]phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55830314
N-(3,5-dimethylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86917576
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
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 N-(2-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (CID 47180517) is N-(2-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is Cc1ccc(NC(=O)CCCc2nc(C)no2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is FBJDZSATJYBTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-9-6-7-12(11(15)8-9)17-13(19)4-3-5-14-16-10(2)18-20-14/h6-8H,3-5H2,1-2H3,(H,17,19).
What are the key properties of N-(2-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
N-(2-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 277.30 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 47180517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).