5-(2-cyclopentylphenyl)-1,2-oxazol-3-amine

C14H16N2O — CID 117329052

IUPAC5-(2-cyclopentylphenyl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccccc2C2CCCC2)on1
InChIInChI=1S/C14H16N2O/c15-14-9-13(17-16-14)12-8-4-3-7-11(12)10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2,(H2,15,16)
InChIKeyZBLSQHVLFCWEAP-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.58
Rot. Bonds2

About 5-(2-cyclopentylphenyl)-1,2-oxazol-3-amine

5-(2-cyclopentylphenyl)-1,2-oxazol-3-amine (PubChem CID 117329052) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-(2-cyclopentylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-cyclopentylphenyl)-1,2-oxazol-3-amine
PubChem CID117329052
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name5-(2-cyclopentylphenyl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccccc2C2CCCC2)on1
InChIInChI=1S/C14H16N2O/c15-14-9-13(17-16-14)12-8-4-3-7-11(12)10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2,(H2,15,16)
InChIKeyZBLSQHVLFCWEAP-UHFFFAOYSA-N
XLogP3.58
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-cyclopentylphenyl)-1,2-oxazol-3-amine (CID 117329052) is 5-(2-cyclopentylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-cyclopentylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-cyclopentylphenyl)-1,2-oxazol-3-amine is Nc1cc(-c2ccccc2C2CCCC2)on1.
What is the InChIKey of 5-(2-cyclopentylphenyl)-1,2-oxazol-3-amine?
The InChIKey is ZBLSQHVLFCWEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-14-9-13(17-16-14)12-8-4-3-7-11(12)10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2,(H2,15,16).
What are the key properties of 5-(2-cyclopentylphenyl)-1,2-oxazol-3-amine?
5-(2-cyclopentylphenyl)-1,2-oxazol-3-amine has a molecular weight of 228.30 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117329052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).