3-(4-methyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine

C13H16N2O — CID 66032788

IUPAC3-(4-methyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine
SMILESCc1cccc2oc(C3CCC(N)C3)nc12
InChIInChI=1S/C13H16N2O/c1-8-3-2-4-11-12(8)15-13(16-11)9-5-6-10(14)7-9/h2-4,9-10H,5-7,14H2,1H3
InChIKeyMRRNDLOBMBVRPN-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.73
Rot. Bonds1

About 3-(4-methyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine

3-(4-methyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine (PubChem CID 66032788) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(4-methyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(4-methyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine
PubChem CID66032788
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-(4-methyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine
SMILESCc1cccc2oc(C3CCC(N)C3)nc12
InChIInChI=1S/C13H16N2O/c1-8-3-2-4-11-12(8)15-13(16-11)9-5-6-10(14)7-9/h2-4,9-10H,5-7,14H2,1H3
InChIKeyMRRNDLOBMBVRPN-UHFFFAOYSA-N
XLogP2.73
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine?
The IUPAC name of 3-(4-methyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine (CID 66032788) is 3-(4-methyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-(4-methyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for 3-(4-methyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine is Cc1cccc2oc(C3CCC(N)C3)nc12.
What is the InChIKey of 3-(4-methyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine?
The InChIKey is MRRNDLOBMBVRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8-3-2-4-11-12(8)15-13(16-11)9-5-6-10(14)7-9/h2-4,9-10H,5-7,14H2,1H3.
What are the key properties of 3-(4-methyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine?
3-(4-methyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine has a molecular weight of 216.28 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 66032788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).