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

C7H10ClN3O2 — CID 108812112

IUPAC1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)NCCCl)no1
InChIInChI=1S/C7H10ClN3O2/c1-5-4-6(11-13-5)10-7(12)9-3-2-8/h4H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyYPYUAYCGNSHAQC-UHFFFAOYSA-N
MW203.63 g/mol
LogP1.34
Rot. Bonds3

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

1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 108812112) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID108812112
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)NCCCl)no1
InChIInChI=1S/C7H10ClN3O2/c1-5-4-6(11-13-5)10-7(12)9-3-2-8/h4H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyYPYUAYCGNSHAQC-UHFFFAOYSA-N
XLogP1.34
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-chloroethyl)-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

ethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]carbamate
CID 108812202
N-(3-chloropropyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108513695
1-(5-methyl-1,2-oxazol-3-yl)-3-[2-[methyl(propan-2-yl)amino]ethyl]urea
CID 51107744
1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 53499685
1-(2-cyclohexylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 6460835
1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea
CID 47125787
1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(oxolan-2-yl)ethyl]urea
CID 51076414
1-(5-methyl-1,2-oxazol-3-yl)-3-[2-[(2S)-oxolan-2-yl]ethyl]urea
CID 32532589
4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 28746271
6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 2777055
1-[2-(4-ethylphenoxy)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 112972181
1-[(3,4-dimethylphenoxy)methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108879137

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 108812112) is 1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)NCCCl)no1.
What is the InChIKey of 1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is YPYUAYCGNSHAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c1-5-4-6(11-13-5)10-7(12)9-3-2-8/h4H,2-3H2,1H3,(H2,9,10,11,12).
What are the key properties of 1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 203.63 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108812112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).