4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopentyl)-1,2-oxazol-5-amine

C16H18Cl2N2O — CID 107179712

IUPAC4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopentyl)-1,2-oxazol-5-amine
SMILESCC1(C)CCCC1c1noc(N)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2O/c1-16(2)7-3-4-11(16)14-13(15(19)21-20-14)10-6-5-9(17)8-12(10)18/h5-6,8,11H,3-4,7,19H2,1-2H3
InChIKeyANICTVFTUNKZQM-UHFFFAOYSA-N
MW325.24 g/mol
LogP5.52
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopentyl)-1,2-oxazol-5-amine

4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopentyl)-1,2-oxazol-5-amine (PubChem CID 107179712) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopentyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopentyl)-1,2-oxazol-5-amine
PubChem CID107179712
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC Name4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopentyl)-1,2-oxazol-5-amine
SMILESCC1(C)CCCC1c1noc(N)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2O/c1-16(2)7-3-4-11(16)14-13(15(19)21-20-14)10-6-5-9(17)8-12(10)18/h5-6,8,11H,3-4,7,19H2,1-2H3
InChIKeyANICTVFTUNKZQM-UHFFFAOYSA-N
XLogP5.52
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.24
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopentyl)-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

3-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-5-amine
CID 43335969
4-(2,4-dichlorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine
CID 107185949
4-(3-bromophenyl)-3-(2,2-dimethylcyclohexyl)-1,2-oxazol-5-amine
CID 107179729
4-(2-chlorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine
CID 107185895
4-(5-chloro-2-methoxyphenyl)-3-cyclopentyl-1,2-oxazol-5-amine
CID 43336109
5-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66199951
4-(2,4-dichlorophenyl)-3-heptan-4-yl-1,2-oxazol-5-amine
CID 82989478
3-(2,2-dimethylcyclopropyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 107001956
4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopropyl)-1-methylpyrazol-5-amine
CID 107001722
4-(2,4-dichlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine
CID 43335963
4-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)-1,2-oxazol-5-amine
CID 43335989
5-(cyclopentylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198154

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopentyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopentyl)-1,2-oxazol-5-amine (CID 107179712) is 4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopentyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopentyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopentyl)-1,2-oxazol-5-amine is CC1(C)CCCC1c1noc(N)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopentyl)-1,2-oxazol-5-amine?
The InChIKey is ANICTVFTUNKZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-16(2)7-3-4-11(16)14-13(15(19)21-20-14)10-6-5-9(17)8-12(10)18/h5-6,8,11H,3-4,7,19H2,1-2H3.
What are the key properties of 4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopentyl)-1,2-oxazol-5-amine?
4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopentyl)-1,2-oxazol-5-amine has a molecular weight of 325.24 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopentyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 107179712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).