6-methyl-3-phenyl-2,1-benzoxazole

C14H11NO — CID 610558

IUPAC6-methyl-3-phenyl-2,1-benzoxazole
SMILESCc1ccc2c(-c3ccccc3)onc2c1
InChIInChI=1S/C14H11NO/c1-10-7-8-12-13(9-10)15-16-14(12)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyUPDYILMEPGBEII-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.80
Rot. Bonds1

About 6-methyl-3-phenyl-2,1-benzoxazole

6-methyl-3-phenyl-2,1-benzoxazole (PubChem CID 610558) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-methyl-3-phenyl-2,1-benzoxazole.

Molecular Properties

Compound Name6-methyl-3-phenyl-2,1-benzoxazole
PubChem CID610558
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name6-methyl-3-phenyl-2,1-benzoxazole
SMILESCc1ccc2c(-c3ccccc3)onc2c1
InChIInChI=1S/C14H11NO/c1-10-7-8-12-13(9-10)15-16-14(12)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyUPDYILMEPGBEII-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 6-methyl-3-phenyl-2,1-benzoxazole?
The IUPAC name of 6-methyl-3-phenyl-2,1-benzoxazole (CID 610558) is 6-methyl-3-phenyl-2,1-benzoxazole.
What is the SMILES notation for 6-methyl-3-phenyl-2,1-benzoxazole?
The canonical SMILES for 6-methyl-3-phenyl-2,1-benzoxazole is Cc1ccc2c(-c3ccccc3)onc2c1.
What is the InChIKey of 6-methyl-3-phenyl-2,1-benzoxazole?
The InChIKey is UPDYILMEPGBEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-10-7-8-12-13(9-10)15-16-14(12)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 6-methyl-3-phenyl-2,1-benzoxazole?
6-methyl-3-phenyl-2,1-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 6-methyl-3-phenyl-2,1-benzoxazole is sourced from PubChem (CID 610558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).