3-(4-benzyl-1,3-oxazol-2-yl)cyclopentan-1-amine

C15H18N2O — CID 59028677

IUPAC3-(4-benzyl-1,3-oxazol-2-yl)cyclopentan-1-amine
SMILESNC1CCC(c2nc(Cc3ccccc3)co2)C1
InChIInChI=1S/C15H18N2O/c16-13-7-6-12(9-13)15-17-14(10-18-15)8-11-4-2-1-3-5-11/h1-5,10,12-13H,6-9,16H2
InChIKeyUCTOWRPZOFETFW-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.86
Rot. Bonds3

About 3-(4-benzyl-1,3-oxazol-2-yl)cyclopentan-1-amine

3-(4-benzyl-1,3-oxazol-2-yl)cyclopentan-1-amine (PubChem CID 59028677) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(4-benzyl-1,3-oxazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(4-benzyl-1,3-oxazol-2-yl)cyclopentan-1-amine
PubChem CID59028677
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-(4-benzyl-1,3-oxazol-2-yl)cyclopentan-1-amine
SMILESNC1CCC(c2nc(Cc3ccccc3)co2)C1
InChIInChI=1S/C15H18N2O/c16-13-7-6-12(9-13)15-17-14(10-18-15)8-11-4-2-1-3-5-11/h1-5,10,12-13H,6-9,16H2
InChIKeyUCTOWRPZOFETFW-UHFFFAOYSA-N
XLogP2.86
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzyl-1,3-oxazol-2-yl)cyclopentan-1-amine?
The IUPAC name of 3-(4-benzyl-1,3-oxazol-2-yl)cyclopentan-1-amine (CID 59028677) is 3-(4-benzyl-1,3-oxazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-(4-benzyl-1,3-oxazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for 3-(4-benzyl-1,3-oxazol-2-yl)cyclopentan-1-amine is NC1CCC(c2nc(Cc3ccccc3)co2)C1.
What is the InChIKey of 3-(4-benzyl-1,3-oxazol-2-yl)cyclopentan-1-amine?
The InChIKey is UCTOWRPZOFETFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-13-7-6-12(9-13)15-17-14(10-18-15)8-11-4-2-1-3-5-11/h1-5,10,12-13H,6-9,16H2.
What are the key properties of 3-(4-benzyl-1,3-oxazol-2-yl)cyclopentan-1-amine?
3-(4-benzyl-1,3-oxazol-2-yl)cyclopentan-1-amine has a molecular weight of 242.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzyl-1,3-oxazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 59028677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).