[1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine

C14H18N2O2 — CID 82622742

IUPAC[1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine
SMILESCOc1ccc2oc(C3(CN)CCCC3)nc2c1
InChIInChI=1S/C14H18N2O2/c1-17-10-4-5-12-11(8-10)16-13(18-12)14(9-15)6-2-3-7-14/h4-5,8H,2-3,6-7,9,15H2,1H3
InChIKeyKEPOSKUPRXQYPE-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.61
Rot. Bonds3

About [1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine

[1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine (PubChem CID 82622742) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine
PubChem CID82622742
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine
SMILESCOc1ccc2oc(C3(CN)CCCC3)nc2c1
InChIInChI=1S/C14H18N2O2/c1-17-10-4-5-12-11(8-10)16-13(18-12)14(9-15)6-2-3-7-14/h4-5,8H,2-3,6-7,9,15H2,1H3
InChIKeyKEPOSKUPRXQYPE-UHFFFAOYSA-N
XLogP2.61
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-methoxy-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine
CID 102696737
1-(5-methoxy-1,3-benzoxazol-2-yl)cyclohexan-1-amine
CID 82622741
2-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine
CID 102696699
[1-(5-chloro-1,3-benzoxazol-2-yl)cyclopropyl]methanamine
CID 115451004
[1-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
CID 115436597
1-(6-methoxy-1,3-benzoxazol-2-yl)cyclobutan-1-amine
CID 102696482
1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine
CID 102696309
[1-(6-methoxy-1H-benzimidazol-2-yl)cycloheptyl]methanamine
CID 115443684
6-methoxy-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole
CID 102696219
[1-(6-chloro-1,3-benzoxazol-2-yl)cyclobutyl]methanamine
CID 115446195
[1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopentyl]methanamine
CID 117434048
2-bromo-5-methoxy-1,3-benzoxazole
CID 83382782

Frequently Asked Questions

What is the IUPAC name of [1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine (CID 82622742) is [1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine is COc1ccc2oc(C3(CN)CCCC3)nc2c1.
What is the InChIKey of [1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine?
The InChIKey is KEPOSKUPRXQYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-17-10-4-5-12-11(8-10)16-13(18-12)14(9-15)6-2-3-7-14/h4-5,8H,2-3,6-7,9,15H2,1H3.
What are the key properties of [1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine?
[1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine has a molecular weight of 246.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine is sourced from PubChem (CID 82622742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).