3-(4-methylphenyl)-1,2-benzoxazole

C14H11NO — CID 12526082

IUPAC3-(4-methylphenyl)-1,2-benzoxazole
SMILESCc1ccc(-c2noc3ccccc23)cc1
InChIInChI=1S/C14H11NO/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)16-15-14/h2-9H,1H3
InChIKeyNZEIZZSQHKJIMG-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.80
Rot. Bonds1

About 3-(4-methylphenyl)-1,2-benzoxazole

3-(4-methylphenyl)-1,2-benzoxazole (PubChem CID 12526082) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1,2-benzoxazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-1,2-benzoxazole
PubChem CID12526082
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name3-(4-methylphenyl)-1,2-benzoxazole
SMILESCc1ccc(-c2noc3ccccc23)cc1
InChIInChI=1S/C14H11NO/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)16-15-14/h2-9H,1H3
InChIKeyNZEIZZSQHKJIMG-UHFFFAOYSA-N
XLogP3.80
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1,2-benzoxazole?
The IUPAC name of 3-(4-methylphenyl)-1,2-benzoxazole (CID 12526082) is 3-(4-methylphenyl)-1,2-benzoxazole.
What is the SMILES notation for 3-(4-methylphenyl)-1,2-benzoxazole?
The canonical SMILES for 3-(4-methylphenyl)-1,2-benzoxazole is Cc1ccc(-c2noc3ccccc23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1,2-benzoxazole?
The InChIKey is NZEIZZSQHKJIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)16-15-14/h2-9H,1H3.
What are the key properties of 3-(4-methylphenyl)-1,2-benzoxazole?
3-(4-methylphenyl)-1,2-benzoxazole has a molecular weight of 209.25 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1,2-benzoxazole is sourced from PubChem (CID 12526082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).