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

C15H16Cl2N2O — CID 66198154

IUPAC5-(cyclopentylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(CC2CCCC2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2O/c16-10-5-6-11(12(17)8-10)14-13(20-19-15(14)18)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H2,18,19)
InChIKeyKUMMWDYORVIBJC-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.96
Rot. Bonds3

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

5-(cyclopentylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine (PubChem CID 66198154) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
PubChem CID66198154
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name5-(cyclopentylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(CC2CCCC2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2O/c16-10-5-6-11(12(17)8-10)14-13(20-19-15(14)18)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H2,18,19)
InChIKeyKUMMWDYORVIBJC-UHFFFAOYSA-N
XLogP4.96
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(cyclopentylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine (CID 66198154) is 5-(cyclopentylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(cyclopentylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(cyclopentylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine is Nc1noc(CC2CCCC2)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(cyclopentylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine?
The InChIKey is KUMMWDYORVIBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c16-10-5-6-11(12(17)8-10)14-13(20-19-15(14)18)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H2,18,19).
What are the key properties of 5-(cyclopentylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine?
5-(cyclopentylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine has a molecular weight of 311.21 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).