1-phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea

C15H12N4O2 — CID 2127532

IUPAC1-phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea
SMILESO=C(Nc1ccccc1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H12N4O2/c20-14(16-12-9-5-2-6-10-12)17-15-19-18-13(21-15)11-7-3-1-4-8-11/h1-10H,(H2,16,17,19,20)
InChIKeyPSMQISOBUVOGMO-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.38
Rot. Bonds3

About 1-phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea

1-phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea (PubChem CID 2127532) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea.

Molecular Properties

Compound Name1-phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea
PubChem CID2127532
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name1-phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea
SMILESO=C(Nc1ccccc1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H12N4O2/c20-14(16-12-9-5-2-6-10-12)17-15-19-18-13(21-15)11-7-3-1-4-8-11/h1-10H,(H2,16,17,19,20)
InChIKeyPSMQISOBUVOGMO-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

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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
N-(5-Phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 199264
5-(2-aminophenyl)-N-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 2732231
5-naphthalen-1-yl-N-phenyl-1,3,4-oxadiazol-2-amine
CID 2815521
2-(4-fluorophenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7597312
5-(4-Nitrophenyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 624692
N-{3-[5-(3-Propionylamino-phenyl)-[1,3,4]oxadiazol-2-yl]-phenyl}-propionamide
CID 1921194
N-(4-Methoxyphenyl)-5-p-tolyl-1,3,4-oxadiazol-2-amine
CID 49855369
5-(4-(Trifluoromethyl)phenyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 49857867
4-(5-(Phenylamino)-1,3,4-oxadiazol-2-yl)benzonitrile
CID 49858060
N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 4149294

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea?
The IUPAC name of 1-phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea (CID 2127532) is 1-phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea.
What is the SMILES notation for 1-phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea?
The canonical SMILES for 1-phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea is O=C(Nc1ccccc1)Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of 1-phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea?
The InChIKey is PSMQISOBUVOGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-14(16-12-9-5-2-6-10-12)17-15-19-18-13(21-15)11-7-3-1-4-8-11/h1-10H,(H2,16,17,19,20).
What are the key properties of 1-phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea?
1-phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea 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-phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea is sourced from PubChem (CID 2127532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).