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

C16H18Cl2N2O — CID 66199751

IUPAC5-(2-cyclopentylethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(CCC2CCCC2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2O/c17-11-6-7-12(13(18)9-11)15-14(21-20-16(15)19)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H2,19,20)
InChIKeyMCGDMWQCHMIWAM-UHFFFAOYSA-N
MW325.24 g/mol
LogP5.35
Rot. Bonds4

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

5-(2-cyclopentylethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine (PubChem CID 66199751) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is 5-(2-cyclopentylethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-cyclopentylethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
PubChem CID66199751
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC Name5-(2-cyclopentylethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(CCC2CCCC2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2O/c17-11-6-7-12(13(18)9-11)15-14(21-20-16(15)19)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H2,19,20)
InChIKeyMCGDMWQCHMIWAM-UHFFFAOYSA-N
XLogP5.35
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.24
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-cyclopentylethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-cyclopentylethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine (CID 66199751) is 5-(2-cyclopentylethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-cyclopentylethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-cyclopentylethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine is Nc1noc(CCC2CCCC2)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2-cyclopentylethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine?
The InChIKey is MCGDMWQCHMIWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c17-11-6-7-12(13(18)9-11)15-14(21-20-16(15)19)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H2,19,20).
What are the key properties of 5-(2-cyclopentylethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine?
5-(2-cyclopentylethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine has a molecular weight of 325.24 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).