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

C13H15ClN2O2 — CID 82092078

IUPAC4-(3-chloro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(C(C)C)noc2N)cc1Cl
InChIInChI=1S/C13H15ClN2O2/c1-7(2)12-11(13(15)18-16-12)8-4-5-10(17-3)9(14)6-8/h4-7H,15H2,1-3H3
InChIKeyPHCUAXOOIZCFTJ-UHFFFAOYSA-N
MW266.73 g/mol
LogP3.71
Rot. Bonds3

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

4-(3-chloro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine (PubChem CID 82092078) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine
PubChem CID82092078
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name4-(3-chloro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(C(C)C)noc2N)cc1Cl
InChIInChI=1S/C13H15ClN2O2/c1-7(2)12-11(13(15)18-16-12)8-4-5-10(17-3)9(14)6-8/h4-7H,15H2,1-3H3
InChIKeyPHCUAXOOIZCFTJ-UHFFFAOYSA-N
XLogP3.71
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-chloro-4-methoxyphenyl)-3-propan-2-yl-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-fluoro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine
CID 82087354
4-(3-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82084136
4-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-1,2-oxazol-5-amine
CID 82091592
4-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-3-amine
CID 82476965
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
4-(3,4-dichlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine
CID 81122721
2-chloro-5-(3-chloro-4-methoxyphenyl)aniline
CID 62908744
3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 59007023
1-[3-(3-chloro-4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223910
2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
CID 95909464
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-propan-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine (CID 82092078) is 4-(3-chloro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine is COc1ccc(-c2c(C(C)C)noc2N)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine?
The InChIKey is PHCUAXOOIZCFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-7(2)12-11(13(15)18-16-12)8-4-5-10(17-3)9(14)6-8/h4-7H,15H2,1-3H3.
What are the key properties of 4-(3-chloro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine?
4-(3-chloro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine has a molecular weight of 266.73 g/mol, XLogP of 3.71, 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-propan-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 82092078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).