6-(1-methylcyclopentyl)-1,2-benzoxazole

C13H15NO — CID 166997673

IUPAC6-(1-methylcyclopentyl)-1,2-benzoxazole
SMILESCC1(c2ccc3cnoc3c2)CCCC1
InChIInChI=1S/C13H15NO/c1-13(6-2-3-7-13)11-5-4-10-9-14-15-12(10)8-11/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyNQHAXSSNYJDLHS-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.66
Rot. Bonds1

About 6-(1-methylcyclopentyl)-1,2-benzoxazole

6-(1-methylcyclopentyl)-1,2-benzoxazole (PubChem CID 166997673) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 6-(1-methylcyclopentyl)-1,2-benzoxazole.

Molecular Properties

Compound Name6-(1-methylcyclopentyl)-1,2-benzoxazole
PubChem CID166997673
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name6-(1-methylcyclopentyl)-1,2-benzoxazole
SMILESCC1(c2ccc3cnoc3c2)CCCC1
InChIInChI=1S/C13H15NO/c1-13(6-2-3-7-13)11-5-4-10-9-14-15-12(10)8-11/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyNQHAXSSNYJDLHS-UHFFFAOYSA-N
XLogP3.66
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylcyclopentyl)-1,2-benzoxazole?
The IUPAC name of 6-(1-methylcyclopentyl)-1,2-benzoxazole (CID 166997673) is 6-(1-methylcyclopentyl)-1,2-benzoxazole.
What is the SMILES notation for 6-(1-methylcyclopentyl)-1,2-benzoxazole?
The canonical SMILES for 6-(1-methylcyclopentyl)-1,2-benzoxazole is CC1(c2ccc3cnoc3c2)CCCC1.
What is the InChIKey of 6-(1-methylcyclopentyl)-1,2-benzoxazole?
The InChIKey is NQHAXSSNYJDLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-13(6-2-3-7-13)11-5-4-10-9-14-15-12(10)8-11/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 6-(1-methylcyclopentyl)-1,2-benzoxazole?
6-(1-methylcyclopentyl)-1,2-benzoxazole has a molecular weight of 201.27 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylcyclopentyl)-1,2-benzoxazole is sourced from PubChem (CID 166997673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).