2-(2-cyclopentylethyl)-5-pyridin-4-yl-1,3-benzoxazole

C19H20N2O — CID 118864142

IUPAC2-(2-cyclopentylethyl)-5-pyridin-4-yl-1,3-benzoxazole
SMILESc1cc(-c2ccc3oc(CCC4CCCC4)nc3c2)ccn1
InChIInChI=1S/C19H20N2O/c1-2-4-14(3-1)5-8-19-21-17-13-16(6-7-18(17)22-19)15-9-11-20-12-10-15/h6-7,9-14H,1-5,8H2
InChIKeyYCZGNUVRHUUMHS-UHFFFAOYSA-N
MW292.38 g/mol
LogP5.01
Rot. Bonds4

About 2-(2-cyclopentylethyl)-5-pyridin-4-yl-1,3-benzoxazole

2-(2-cyclopentylethyl)-5-pyridin-4-yl-1,3-benzoxazole (PubChem CID 118864142) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(2-cyclopentylethyl)-5-pyridin-4-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-cyclopentylethyl)-5-pyridin-4-yl-1,3-benzoxazole
PubChem CID118864142
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name2-(2-cyclopentylethyl)-5-pyridin-4-yl-1,3-benzoxazole
SMILESc1cc(-c2ccc3oc(CCC4CCCC4)nc3c2)ccn1
InChIInChI=1S/C19H20N2O/c1-2-4-14(3-1)5-8-19-21-17-13-16(6-7-18(17)22-19)15-9-11-20-12-10-15/h6-7,9-14H,1-5,8H2
InChIKeyYCZGNUVRHUUMHS-UHFFFAOYSA-N
XLogP5.01
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-cyclopentylethyl)-5-pyridin-4-yl-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethyl)-5-pyridin-4-yl-1,3-benzoxazole?
The IUPAC name of 2-(2-cyclopentylethyl)-5-pyridin-4-yl-1,3-benzoxazole (CID 118864142) is 2-(2-cyclopentylethyl)-5-pyridin-4-yl-1,3-benzoxazole.
What is the SMILES notation for 2-(2-cyclopentylethyl)-5-pyridin-4-yl-1,3-benzoxazole?
The canonical SMILES for 2-(2-cyclopentylethyl)-5-pyridin-4-yl-1,3-benzoxazole is c1cc(-c2ccc3oc(CCC4CCCC4)nc3c2)ccn1.
What is the InChIKey of 2-(2-cyclopentylethyl)-5-pyridin-4-yl-1,3-benzoxazole?
The InChIKey is YCZGNUVRHUUMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-2-4-14(3-1)5-8-19-21-17-13-16(6-7-18(17)22-19)15-9-11-20-12-10-15/h6-7,9-14H,1-5,8H2.
What are the key properties of 2-(2-cyclopentylethyl)-5-pyridin-4-yl-1,3-benzoxazole?
2-(2-cyclopentylethyl)-5-pyridin-4-yl-1,3-benzoxazole has a molecular weight of 292.38 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethyl)-5-pyridin-4-yl-1,3-benzoxazole is sourced from PubChem (CID 118864142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).