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

C14H11NO — CID 653180

IUPAC2-methyl-6-phenyl-1,3-benzoxazole
SMILESCc1nc2ccc(-c3ccccc3)cc2o1
InChIInChI=1S/C14H11NO/c1-10-15-13-8-7-12(9-14(13)16-10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyOZMVIYVBZSEPDZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.80
Rot. Bonds1

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

2-methyl-6-phenyl-1,3-benzoxazole (PubChem CID 653180) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methyl-6-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-6-phenyl-1,3-benzoxazole
PubChem CID653180
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name2-methyl-6-phenyl-1,3-benzoxazole
SMILESCc1nc2ccc(-c3ccccc3)cc2o1
InChIInChI=1S/C14H11NO/c1-10-15-13-8-7-12(9-14(13)16-10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyOZMVIYVBZSEPDZ-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 2-methyl-6-phenyl-1,3-benzoxazole?
The IUPAC name of 2-methyl-6-phenyl-1,3-benzoxazole (CID 653180) is 2-methyl-6-phenyl-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-6-phenyl-1,3-benzoxazole?
The canonical SMILES for 2-methyl-6-phenyl-1,3-benzoxazole is Cc1nc2ccc(-c3ccccc3)cc2o1.
What is the InChIKey of 2-methyl-6-phenyl-1,3-benzoxazole?
The InChIKey is OZMVIYVBZSEPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-10-15-13-8-7-12(9-14(13)16-10)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 2-methyl-6-phenyl-1,3-benzoxazole?
2-methyl-6-phenyl-1,3-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 2-methyl-6-phenyl-1,3-benzoxazole is sourced from PubChem (CID 653180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).