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

C13H16N4O2 — CID 2127579

IUPAC1-butyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea
SMILESCCCCNC(=O)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C13H16N4O2/c1-2-3-9-14-12(18)15-13-17-16-11(19-13)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,14,15,17,18)
InChIKeySTSKIVZIMOJYQK-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.66
Rot. Bonds5

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

1-butyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea (PubChem CID 2127579) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-butyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea.

Molecular Properties

Compound Name1-butyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea
PubChem CID2127579
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-butyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea
SMILESCCCCNC(=O)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C13H16N4O2/c1-2-3-9-14-12(18)15-13-17-16-11(19-13)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,14,15,17,18)
InChIKeySTSKIVZIMOJYQK-UHFFFAOYSA-N
XLogP2.66
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

1,3,4-Oxadiazole, 2-amino-5-phenyl-
CID 15363
5-(4-Methylphenyl)-1,3,4-oxadiazol-2-amine
CID 356898
N-(5-Phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 199264
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
CID 7244114
2-(2,4-dimethylphenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7597012
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 7597268
2-(4-fluorophenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7597312
5-(4-fluorophenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine
CID 1516852
N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 4149294
2-Propenamide, 2-cyano-3-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-
CID 5469110
N-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
CID 2123280
1-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-cyclohexylurea
CID 2444737

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea?
The IUPAC name of 1-butyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea (CID 2127579) is 1-butyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea.
What is the SMILES notation for 1-butyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea?
The canonical SMILES for 1-butyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea is CCCCNC(=O)Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of 1-butyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea?
The InChIKey is STSKIVZIMOJYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-3-9-14-12(18)15-13-17-16-11(19-13)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,14,15,17,18).
What are the key properties of 1-butyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea?
1-butyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea has a molecular weight of 260.30 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea is sourced from PubChem (CID 2127579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).