2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole

C14H17NO — CID 82230679

IUPAC2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole
SMILESCc1cc(C)c2nc(C3CCCC3)oc2c1
InChIInChI=1S/C14H17NO/c1-9-7-10(2)13-12(8-9)16-14(15-13)11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3
InChIKeyHYKKQVZTPQUVSW-UHFFFAOYSA-N
MW215.30 g/mol
LogP4.10
Rot. Bonds1

About 2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole

2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole (PubChem CID 82230679) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole
PubChem CID82230679
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole
SMILESCc1cc(C)c2nc(C3CCCC3)oc2c1
InChIInChI=1S/C14H17NO/c1-9-7-10(2)13-12(8-9)16-14(15-13)11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3
InChIKeyHYKKQVZTPQUVSW-UHFFFAOYSA-N
XLogP4.10
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole?
The IUPAC name of 2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole (CID 82230679) is 2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole.
What is the SMILES notation for 2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole?
The canonical SMILES for 2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole is Cc1cc(C)c2nc(C3CCCC3)oc2c1.
What is the InChIKey of 2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole?
The InChIKey is HYKKQVZTPQUVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-9-7-10(2)13-12(8-9)16-14(15-13)11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole?
2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole has a molecular weight of 215.30 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole is sourced from PubChem (CID 82230679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).