1-(4-cyanophenyl)-3-(oxolan-2-yl)urea

C12H13N3O2 — CID 110706796

IUPAC1-(4-cyanophenyl)-3-(oxolan-2-yl)urea
SMILESN#Cc1ccc(NC(=O)NC2CCCO2)cc1
InChIInChI=1S/C12H13N3O2/c13-8-9-3-5-10(6-4-9)14-12(16)15-11-2-1-7-17-11/h3-6,11H,1-2,7H2,(H2,14,15,16)
InChIKeyDNVXNRAUPGJLFU-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.82
Rot. Bonds2

About 1-(4-cyanophenyl)-3-(oxolan-2-yl)urea

1-(4-cyanophenyl)-3-(oxolan-2-yl)urea (PubChem CID 110706796) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-(oxolan-2-yl)urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-(oxolan-2-yl)urea
PubChem CID110706796
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name1-(4-cyanophenyl)-3-(oxolan-2-yl)urea
SMILESN#Cc1ccc(NC(=O)NC2CCCO2)cc1
InChIInChI=1S/C12H13N3O2/c13-8-9-3-5-10(6-4-9)14-12(16)15-11-2-1-7-17-11/h3-6,11H,1-2,7H2,(H2,14,15,16)
InChIKeyDNVXNRAUPGJLFU-UHFFFAOYSA-N
XLogP1.82
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-cyanophenyl)-3-(oxolan-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-(4-chlorophenyl)-3-(oxolan-2-yl)urea
CID 110706711
1-(4-tert-butylphenyl)-3-(oxolan-2-yl)urea
CID 110706706
1-(oxolan-2-yl)-3-(4-phenylmethoxyphenyl)urea
CID 110706756
1-(4-cyanophenyl)-3-piperidin-4-ylurea
CID 43345800
1-(4-cyanophenyl)-3-[(3R)-piperidin-3-yl]urea
CID 113436695
1-(3-methylphenyl)-3-(oxolan-2-yl)urea
CID 110706685
1-(4-cyanophenyl)-3-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 1466932
1-(4-cyanophenyl)-3-[(1S,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 1466933
N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 63939812
1-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-(4-cyanophenyl)urea
CID 97311576
1-(4-cyanophenyl)-3-[(3R,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]urea
CID 95975783
4-[(4-cyanophenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79216941

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-(oxolan-2-yl)urea?
The IUPAC name of 1-(4-cyanophenyl)-3-(oxolan-2-yl)urea (CID 110706796) is 1-(4-cyanophenyl)-3-(oxolan-2-yl)urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-(oxolan-2-yl)urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-(oxolan-2-yl)urea is N#Cc1ccc(NC(=O)NC2CCCO2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-(oxolan-2-yl)urea?
The InChIKey is DNVXNRAUPGJLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-8-9-3-5-10(6-4-9)14-12(16)15-11-2-1-7-17-11/h3-6,11H,1-2,7H2,(H2,14,15,16).
What are the key properties of 1-(4-cyanophenyl)-3-(oxolan-2-yl)urea?
1-(4-cyanophenyl)-3-(oxolan-2-yl)urea has a molecular weight of 231.25 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-(oxolan-2-yl)urea is sourced from PubChem (CID 110706796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).