N-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylpropanamide

C14H16FN3O2 — CID 53098271

IUPACN-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3O2/c1-14(2,3)13(19)16-8-11-17-12(20-18-11)9-4-6-10(15)7-5-9/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyPNKPCXKSTHTZJV-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.54
Rot. Bonds3

About N-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylpropanamide

N-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 53098271) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylpropanamide
PubChem CID53098271
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3O2/c1-14(2,3)13(19)16-8-11-17-12(20-18-11)9-4-6-10(15)7-5-9/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyPNKPCXKSTHTZJV-UHFFFAOYSA-N
XLogP2.54
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 3506531
2-amino-N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpentanamide
CID 167782328
4,4,4-trifluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
CID 53098243
2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 25220755
3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 53098234
4-fluoro-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755693
(5R)-3-(4-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide
CID 51498726
1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylamino]cyclobutane-1-carboxylic acid
CID 81156261
methyl 4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 38901917
2-(3-fluorophenyl)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 53049081
2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-2-methylpropan-1-ol
CID 115640871
2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropanoic acid
CID 167428087

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylpropanamide (CID 53098271) is N-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCc1noc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is PNKPCXKSTHTZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-14(2,3)13(19)16-8-11-17-12(20-18-11)9-4-6-10(15)7-5-9/h4-7H,8H2,1-3H3,(H,16,19).
What are the key properties of N-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylpropanamide?
N-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 277.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 53098271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).