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

C14H11NO2 — CID 3286009

IUPAC6-methoxy-3-phenyl-1,2-benzoxazole
SMILESCOc1ccc2c(-c3ccccc3)noc2c1
InChIInChI=1S/C14H11NO2/c1-16-11-7-8-12-13(9-11)17-15-14(12)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyCGBALCVLSJLKAB-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.50
Rot. Bonds2

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

6-methoxy-3-phenyl-1,2-benzoxazole (PubChem CID 3286009) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-methoxy-3-phenyl-1,2-benzoxazole.

Molecular Properties

Compound Name6-methoxy-3-phenyl-1,2-benzoxazole
PubChem CID3286009
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name6-methoxy-3-phenyl-1,2-benzoxazole
SMILESCOc1ccc2c(-c3ccccc3)noc2c1
InChIInChI=1S/C14H11NO2/c1-16-11-7-8-12-13(9-11)17-15-14(12)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyCGBALCVLSJLKAB-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 6-methoxy-3-phenyl-1,2-benzoxazole?
The IUPAC name of 6-methoxy-3-phenyl-1,2-benzoxazole (CID 3286009) is 6-methoxy-3-phenyl-1,2-benzoxazole.
What is the SMILES notation for 6-methoxy-3-phenyl-1,2-benzoxazole?
The canonical SMILES for 6-methoxy-3-phenyl-1,2-benzoxazole is COc1ccc2c(-c3ccccc3)noc2c1.
What is the InChIKey of 6-methoxy-3-phenyl-1,2-benzoxazole?
The InChIKey is CGBALCVLSJLKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-16-11-7-8-12-13(9-11)17-15-14(12)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 6-methoxy-3-phenyl-1,2-benzoxazole?
6-methoxy-3-phenyl-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 6-methoxy-3-phenyl-1,2-benzoxazole is sourced from PubChem (CID 3286009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).