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

C14H11NO2 — CID 57382590

IUPAC3-(4-methoxyphenyl)-1,2-benzoxazole
SMILESCOc1ccc(-c2noc3ccccc23)cc1
InChIInChI=1S/C14H11NO2/c1-16-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)17-15-14/h2-9H,1H3
InChIKeyGJLHFMSVGROZMO-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.50
Rot. Bonds2

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

3-(4-methoxyphenyl)-1,2-benzoxazole (PubChem CID 57382590) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1,2-benzoxazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1,2-benzoxazole
PubChem CID57382590
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name3-(4-methoxyphenyl)-1,2-benzoxazole
SMILESCOc1ccc(-c2noc3ccccc23)cc1
InChIInChI=1S/C14H11NO2/c1-16-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)17-15-14/h2-9H,1H3
InChIKeyGJLHFMSVGROZMO-UHFFFAOYSA-N
XLogP3.50
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1,2-benzoxazole?
The IUPAC name of 3-(4-methoxyphenyl)-1,2-benzoxazole (CID 57382590) is 3-(4-methoxyphenyl)-1,2-benzoxazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-1,2-benzoxazole?
The canonical SMILES for 3-(4-methoxyphenyl)-1,2-benzoxazole is COc1ccc(-c2noc3ccccc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1,2-benzoxazole?
The InChIKey is GJLHFMSVGROZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-16-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)17-15-14/h2-9H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1,2-benzoxazole?
3-(4-methoxyphenyl)-1,2-benzoxazole has a molecular weight of 225.25 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1,2-benzoxazole is sourced from PubChem (CID 57382590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).