1-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-phenylurea

C15H12N4O2 — CID 2739470

IUPAC1-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C15H12N4O2/c20-15(17-12-6-2-1-3-7-12)18-13-8-4-5-11(9-13)14-19-16-10-21-14/h1-10H,(H2,17,18,20)
InChIKeyMLYPBJPWTKQTBG-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.38
Rot. Bonds3

About 1-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-phenylurea

1-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-phenylurea (PubChem CID 2739470) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-phenylurea
PubChem CID2739470
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name1-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C15H12N4O2/c20-15(17-12-6-2-1-3-7-12)18-13-8-4-5-11(9-13)14-19-16-10-21-14/h1-10H,(H2,17,18,20)
InChIKeyMLYPBJPWTKQTBG-UHFFFAOYSA-N
XLogP3.38
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-phenylurea 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,5-diphenyl-1,3,4-oxadiazol-2-amine
CID 12616884
5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 1547963
4-Oxo-4-{[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]amino}butanoic acid
CID 888626
N-{3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}acetamide
CID 1231059
N-{3-[5-(3-Propionylamino-phenyl)-[1,3,4]oxadiazol-2-yl]-phenyl}-propionamide
CID 1921194
1-{3-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-3-(3-[1,3,4]oxadiazol-2-yl-phenyl)-urea
CID 44289877
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide
CID 976675
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 1803647
1-Phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea
CID 2127532
N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 976589
5-Chloro-2-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134291194
1-[(3,4-Difluorophenyl)methyl]-5-fluoro-2-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]pyrimidin-4-one
CID 134291380

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-phenylurea?
The IUPAC name of 1-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-phenylurea (CID 2739470) is 1-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1cccc(-c2nnco2)c1.
What is the InChIKey of 1-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-phenylurea?
The InChIKey is MLYPBJPWTKQTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-15(17-12-6-2-1-3-7-12)18-13-8-4-5-11(9-13)14-19-16-10-21-14/h1-10H,(H2,17,18,20).
What are the key properties of 1-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-phenylurea?
1-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-phenylurea has a molecular weight of 280.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-phenylurea is sourced from PubChem (CID 2739470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).