5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine

C16H14FN3O — CID 11173614

IUPAC5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1nnc(N)o1
InChIInChI=1S/C16H14FN3O/c1-10(15-19-20-16(18)21-15)12-7-8-13(14(17)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,20)
InChIKeyKYKPBJJBRSVIDD-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.61
Rot. Bonds3

About 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine

5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 11173614) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID11173614
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1nnc(N)o1
InChIInChI=1S/C16H14FN3O/c1-10(15-19-20-16(18)21-15)12-7-8-13(14(17)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,20)
InChIKeyKYKPBJJBRSVIDD-UHFFFAOYSA-N
XLogP3.61
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine 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

5-Benzyl-1,3,4-oxadiazol-2-amine
CID 2756634
5-[(4-Fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 21919319
1,3,4-Oxadiazole, 2-amino-5-(diphenylmethyl)-
CID 201252
5-(1,2-Diphenylethyl)-1,3,4-oxadiazol-2(3H)-imine
CID 3061059
5-(2-Phenylethyl)-1,3,4-oxadiazol-2-amine
CID 14199524
2-[(4-Fluorophenyl)methyl]-5-(3-phenylpropyl)-1,3,4-oxadiazole
CID 145962791
5-(2-Phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 20113403
5-((2-Fluorophenyl)methyl)-1,3,4-oxadiazol-2-amine
CID 20114826
5-(Naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 20119571
5-(3-Phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 43119529
5-((3,5-Difluorophenyl)methyl)-1,3,4-oxadiazol-2-amine
CID 50998846
5-(2,4-Dimethylbenzyl)-1,3,4-oxadiazol-2-amine
CID 33679846

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine (CID 11173614) is 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine is CC(c1ccc(-c2ccccc2)c(F)c1)c1nnc(N)o1.
What is the InChIKey of 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is KYKPBJJBRSVIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-10(15-19-20-16(18)21-15)12-7-8-13(14(17)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,20).
What are the key properties of 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine?
5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 283.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 11173614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).