4-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-1,2-oxazol-5-amine

C13H13ClN2O2 — CID 82091592

IUPAC4-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(C3CC3)noc2N)cc1Cl
InChIInChI=1S/C13H13ClN2O2/c1-17-10-5-4-8(6-9(10)14)11-12(7-2-3-7)16-18-13(11)15/h4-7H,2-3,15H2,1H3
InChIKeyQYNFMOPGIUBUEN-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.46
Rot. Bonds3

About 4-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-1,2-oxazol-5-amine

4-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-1,2-oxazol-5-amine (PubChem CID 82091592) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-1,2-oxazol-5-amine
PubChem CID82091592
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name4-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(C3CC3)noc2N)cc1Cl
InChIInChI=1S/C13H13ClN2O2/c1-17-10-5-4-8(6-9(10)14)11-12(7-2-3-7)16-18-13(11)15/h4-7H,2-3,15H2,1H3
InChIKeyQYNFMOPGIUBUEN-UHFFFAOYSA-N
XLogP3.46
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-1,2-oxazol-5-amine 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

4-(3-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82084136
4-(3-chloro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine
CID 82092078
4-(5-chloro-2-methoxyphenyl)-3-cyclopentyl-1,2-oxazol-5-amine
CID 43336109
4-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-3-amine
CID 82476965
4-(3,4-dichlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine
CID 63013669
3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine
CID 43336233
5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine
CID 82114977
4-(4-methoxy-3-methylphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82079241
3-cycloheptyl-4-(2-methoxyphenyl)-1,2-oxazol-5-amine
CID 62588706
4-(3,4-dichlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine
CID 81122721
3-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-5-amine
CID 43335969
4-(3-ethyl-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82082412

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-1,2-oxazol-5-amine (CID 82091592) is 4-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-1,2-oxazol-5-amine is COc1ccc(-c2c(C3CC3)noc2N)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-1,2-oxazol-5-amine?
The InChIKey is QYNFMOPGIUBUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-17-10-5-4-8(6-9(10)14)11-12(7-2-3-7)16-18-13(11)15/h4-7H,2-3,15H2,1H3.
What are the key properties of 4-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-1,2-oxazol-5-amine?
4-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-1,2-oxazol-5-amine has a molecular weight of 264.71 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-1,2-oxazol-5-amine is sourced from PubChem (CID 82091592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).