1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea

C11H12N4O2 — CID 108812089

IUPAC1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(N)cc2)no1
InChIInChI=1S/C11H12N4O2/c1-7-6-10(15-17-7)14-11(16)13-9-4-2-8(12)3-5-9/h2-6H,12H2,1H3,(H2,13,14,15,16)
InChIKeyVKEMKRJNRFCYSG-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.21
Rot. Bonds2

About 1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea

1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 108812089) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID108812089
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(N)cc2)no1
InChIInChI=1S/C11H12N4O2/c1-7-6-10(15-17-7)14-11(16)13-9-4-2-8(12)3-5-9/h2-6H,12H2,1H3,(H2,13,14,15,16)
InChIKeyVKEMKRJNRFCYSG-UHFFFAOYSA-N
XLogP2.21
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-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-[1-(methylamino)ethyl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 61339817
1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108895478
ethane;1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(4-methylphenyl)methyl]phenyl]urea;molecular hydrogen
CID 143052396
1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 6467048
1-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylurea
CID 47129987
3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 54905585
1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812161
5-chloro-1-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazole-4-carboxamide
CID 143051989
1-(2,3-dihydro-1-benzofuran-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 167948744
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]acetamide
CID 112990326
5-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 61090906
1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 978129

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 108812089) is 1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)Nc2ccc(N)cc2)no1.
What is the InChIKey of 1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is VKEMKRJNRFCYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-6-10(15-17-7)14-11(16)13-9-4-2-8(12)3-5-9/h2-6H,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 232.24 g/mol, XLogP of 2.21, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108812089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).