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

C15H12N4O2 — CID 51049471

IUPAC1-[4-(1,2,4-oxadiazol-3-yl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(-c2ncon2)cc1
InChIInChI=1S/C15H12N4O2/c20-15(17-12-4-2-1-3-5-12)18-13-8-6-11(7-9-13)14-16-10-21-19-14/h1-10H,(H2,17,18,20)
InChIKeyGEXDNDJHQPSSNU-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.38
Rot. Bonds3

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

1-[4-(1,2,4-oxadiazol-3-yl)phenyl]-3-phenylurea (PubChem CID 51049471) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-[4-(1,2,4-oxadiazol-3-yl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(1,2,4-oxadiazol-3-yl)phenyl]-3-phenylurea
PubChem CID51049471
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name1-[4-(1,2,4-oxadiazol-3-yl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(-c2ncon2)cc1
InChIInChI=1S/C15H12N4O2/c20-15(17-12-4-2-1-3-5-12)18-13-8-6-11(7-9-13)14-16-10-21-19-14/h1-10H,(H2,17,18,20)
InChIKeyGEXDNDJHQPSSNU-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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,2,4-oxadiazol-3-yl)phenyl]-3-phenylurea?
The IUPAC name of 1-[4-(1,2,4-oxadiazol-3-yl)phenyl]-3-phenylurea (CID 51049471) is 1-[4-(1,2,4-oxadiazol-3-yl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(1,2,4-oxadiazol-3-yl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(1,2,4-oxadiazol-3-yl)phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(-c2ncon2)cc1.
What is the InChIKey of 1-[4-(1,2,4-oxadiazol-3-yl)phenyl]-3-phenylurea?
The InChIKey is GEXDNDJHQPSSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-15(17-12-4-2-1-3-5-12)18-13-8-6-11(7-9-13)14-16-10-21-19-14/h1-10H,(H2,17,18,20).
What are the key properties of 1-[4-(1,2,4-oxadiazol-3-yl)phenyl]-3-phenylurea?
1-[4-(1,2,4-oxadiazol-3-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-[4-(1,2,4-oxadiazol-3-yl)phenyl]-3-phenylurea is sourced from PubChem (CID 51049471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).