1-[(7-methyl-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine

C14H18N2O — CID 79602491

IUPAC1-[(7-methyl-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine
SMILESCc1cccc2nc(CC3(N)CCCC3)oc12
InChIInChI=1S/C14H18N2O/c1-10-5-4-6-11-13(10)17-12(16-11)9-14(15)7-2-3-8-14/h4-6H,2-3,7-9,15H2,1H3
InChIKeyJHBUFNFJVDWRDQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.95
Rot. Bonds2

About 1-[(7-methyl-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine

1-[(7-methyl-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine (PubChem CID 79602491) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[(7-methyl-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(7-methyl-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine
PubChem CID79602491
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[(7-methyl-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine
SMILESCc1cccc2nc(CC3(N)CCCC3)oc12
InChIInChI=1S/C14H18N2O/c1-10-5-4-6-11-13(10)17-12(16-11)9-14(15)7-2-3-8-14/h4-6H,2-3,7-9,15H2,1H3
InChIKeyJHBUFNFJVDWRDQ-UHFFFAOYSA-N
XLogP2.95
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(7-methyl-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-[(7-methyl-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine (CID 79602491) is 1-[(7-methyl-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(7-methyl-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(7-methyl-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine is Cc1cccc2nc(CC3(N)CCCC3)oc12.
What is the InChIKey of 1-[(7-methyl-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine?
The InChIKey is JHBUFNFJVDWRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-5-4-6-11-13(10)17-12(16-11)9-14(15)7-2-3-8-14/h4-6H,2-3,7-9,15H2,1H3.
What are the key properties of 1-[(7-methyl-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine?
1-[(7-methyl-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-methyl-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 79602491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).