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

C15H17ClN2O — CID 66200930

IUPAC4-(4-chlorophenyl)-5-(cyclopentylmethyl)-1,2-oxazol-3-amine
SMILESNc1noc(CC2CCCC2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O/c16-12-7-5-11(6-8-12)14-13(19-18-15(14)17)9-10-3-1-2-4-10/h5-8,10H,1-4,9H2,(H2,17,18)
InChIKeyKZWOGECXAOXVSP-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.31
Rot. Bonds3

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

4-(4-chlorophenyl)-5-(cyclopentylmethyl)-1,2-oxazol-3-amine (PubChem CID 66200930) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(cyclopentylmethyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(cyclopentylmethyl)-1,2-oxazol-3-amine
PubChem CID66200930
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-(4-chlorophenyl)-5-(cyclopentylmethyl)-1,2-oxazol-3-amine
SMILESNc1noc(CC2CCCC2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O/c16-12-7-5-11(6-8-12)14-13(19-18-15(14)17)9-10-3-1-2-4-10/h5-8,10H,1-4,9H2,(H2,17,18)
InChIKeyKZWOGECXAOXVSP-UHFFFAOYSA-N
XLogP4.31
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(cyclopentylmethyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-chlorophenyl)-5-(cyclopentylmethyl)-1,2-oxazol-3-amine (CID 66200930) is 4-(4-chlorophenyl)-5-(cyclopentylmethyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(cyclopentylmethyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-chlorophenyl)-5-(cyclopentylmethyl)-1,2-oxazol-3-amine is Nc1noc(CC2CCCC2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(cyclopentylmethyl)-1,2-oxazol-3-amine?
The InChIKey is KZWOGECXAOXVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-12-7-5-11(6-8-12)14-13(19-18-15(14)17)9-10-3-1-2-4-10/h5-8,10H,1-4,9H2,(H2,17,18).
What are the key properties of 4-(4-chlorophenyl)-5-(cyclopentylmethyl)-1,2-oxazol-3-amine?
4-(4-chlorophenyl)-5-(cyclopentylmethyl)-1,2-oxazol-3-amine has a molecular weight of 276.77 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(cyclopentylmethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66200930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).