1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea

C13H14N4O2 — CID 46321521

IUPAC1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCc1nc(-c2cccc(NC(=O)NC3CC3)c2)no1
InChIInChI=1S/C13H14N4O2/c1-8-14-12(17-19-8)9-3-2-4-11(7-9)16-13(18)15-10-5-6-10/h2-4,7,10H,5-6H2,1H3,(H2,15,16,18)
InChIKeyYTZMXMIYKBAVJE-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.33
Rot. Bonds3

About 1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea

1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea (PubChem CID 46321521) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
PubChem CID46321521
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCc1nc(-c2cccc(NC(=O)NC3CC3)c2)no1
InChIInChI=1S/C13H14N4O2/c1-8-14-12(17-19-8)9-3-2-4-11(7-9)16-13(18)15-10-5-6-10/h2-4,7,10H,5-6H2,1H3,(H2,15,16,18)
InChIKeyYTZMXMIYKBAVJE-UHFFFAOYSA-N
XLogP2.33
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]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-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea
CID 97008880
N-[4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 50777698
4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674434
1-(2,4-dimethylphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46361374
(2S,5R)-5-(aminomethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]oxolane-2-carboxamide
CID 120789046
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 50777725
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide
CID 53013614
N-cyclohexyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline
CID 70002094
1-(2-ethyl-2-hydroxybutyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 111103701
1-(3-chloro-4-methoxyphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50777590
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119741040
4-(1-hydroxyethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide
CID 111424867

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The IUPAC name of 1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea (CID 46321521) is 1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea is Cc1nc(-c2cccc(NC(=O)NC3CC3)c2)no1.
What is the InChIKey of 1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The InChIKey is YTZMXMIYKBAVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-14-12(17-19-8)9-3-2-4-11(7-9)16-13(18)15-10-5-6-10/h2-4,7,10H,5-6H2,1H3,(H2,15,16,18).
What are the key properties of 1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea has a molecular weight of 258.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea is sourced from PubChem (CID 46321521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).