3-(4-methylphenyl)-1,2-benzoxazol-5-ol

C14H11NO2 — CID 105482853

IUPAC3-(4-methylphenyl)-1,2-benzoxazol-5-ol
SMILESCc1ccc(-c2noc3ccc(O)cc23)cc1
InChIInChI=1S/C14H11NO2/c1-9-2-4-10(5-3-9)14-12-8-11(16)6-7-13(12)17-15-14/h2-8,16H,1H3
InChIKeyCALSASSNYUSXBA-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.51
Rot. Bonds1

About 3-(4-methylphenyl)-1,2-benzoxazol-5-ol

3-(4-methylphenyl)-1,2-benzoxazol-5-ol (PubChem CID 105482853) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1,2-benzoxazol-5-ol.

Molecular Properties

Compound Name3-(4-methylphenyl)-1,2-benzoxazol-5-ol
PubChem CID105482853
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name3-(4-methylphenyl)-1,2-benzoxazol-5-ol
SMILESCc1ccc(-c2noc3ccc(O)cc23)cc1
InChIInChI=1S/C14H11NO2/c1-9-2-4-10(5-3-9)14-12-8-11(16)6-7-13(12)17-15-14/h2-8,16H,1H3
InChIKeyCALSASSNYUSXBA-UHFFFAOYSA-N
XLogP3.51
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1,2-benzoxazol-5-ol?
The IUPAC name of 3-(4-methylphenyl)-1,2-benzoxazol-5-ol (CID 105482853) is 3-(4-methylphenyl)-1,2-benzoxazol-5-ol.
What is the SMILES notation for 3-(4-methylphenyl)-1,2-benzoxazol-5-ol?
The canonical SMILES for 3-(4-methylphenyl)-1,2-benzoxazol-5-ol is Cc1ccc(-c2noc3ccc(O)cc23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1,2-benzoxazol-5-ol?
The InChIKey is CALSASSNYUSXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-9-2-4-10(5-3-9)14-12-8-11(16)6-7-13(12)17-15-14/h2-8,16H,1H3.
What are the key properties of 3-(4-methylphenyl)-1,2-benzoxazol-5-ol?
3-(4-methylphenyl)-1,2-benzoxazol-5-ol has a molecular weight of 225.25 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1,2-benzoxazol-5-ol is sourced from PubChem (CID 105482853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).