N-benzyl-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide

C17H14FN3O2 — CID 42571411

IUPACN-benzyl-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C17H14FN3O2/c1-21(11-12-5-3-2-4-6-12)17(22)16-19-15(20-23-16)13-7-9-14(18)10-8-13/h2-10H,11H2,1H3
InChIKeyMMXQKBLJBNORJM-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.15
Rot. Bonds4

About N-benzyl-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide

N-benzyl-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42571411) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is N-benzyl-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID42571411
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC NameN-benzyl-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C17H14FN3O2/c1-21(11-12-5-3-2-4-6-12)17(22)16-19-15(20-23-16)13-7-9-14(18)10-8-13/h2-10H,11H2,1H3
InChIKeyMMXQKBLJBNORJM-UHFFFAOYSA-N
XLogP3.15
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-methyl-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
CID 22520991
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083936
3-(4-fluorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 100548168
methyl 4-[[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl-methylamino]methyl]benzoate
CID 37415048
3-(4-fluorophenyl)-1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 6462162
3-(4-fluorophenyl)-N-[(2R)-2-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide
CID 42534811
3-(4-fluorophenyl)-N-[2-[(2-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 16765201
N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 6621305
3-(4-fluorophenyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083881
N-benzyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide
CID 83283231
N-benzyl-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46537162

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-benzyl-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide (CID 42571411) is N-benzyl-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide is CN(Cc1ccccc1)C(=O)c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of N-benzyl-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is MMXQKBLJBNORJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-21(11-12-5-3-2-4-6-12)17(22)16-19-15(20-23-16)13-7-9-14(18)10-8-13/h2-10H,11H2,1H3.
What are the key properties of N-benzyl-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide?
N-benzyl-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42571411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).