7-methyl-2,1-benzoxazole

C8H7NO — CID 14665861

IUPAC7-methyl-2,1-benzoxazole
SMILESCc1cccc2conc12
InChIInChI=1S/C8H7NO/c1-6-3-2-4-7-5-10-9-8(6)7/h2-5H,1H3
InChIKeyXFYVCTSDKJVHGZ-UHFFFAOYSA-N
MW133.15 g/mol
LogP2.14
Rot. Bonds

About 7-methyl-2,1-benzoxazole

7-methyl-2,1-benzoxazole (PubChem CID 14665861) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is 7-methyl-2,1-benzoxazole.

Molecular Properties

Compound Name7-methyl-2,1-benzoxazole
PubChem CID14665861
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name7-methyl-2,1-benzoxazole
SMILESCc1cccc2conc12
InChIInChI=1S/C8H7NO/c1-6-3-2-4-7-5-10-9-8(6)7/h2-5H,1H3
InChIKeyXFYVCTSDKJVHGZ-UHFFFAOYSA-N
XLogP2.14
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,1-benzoxazole?
The IUPAC name of 7-methyl-2,1-benzoxazole (CID 14665861) is 7-methyl-2,1-benzoxazole.
What is the SMILES notation for 7-methyl-2,1-benzoxazole?
The canonical SMILES for 7-methyl-2,1-benzoxazole is Cc1cccc2conc12.
What is the InChIKey of 7-methyl-2,1-benzoxazole?
The InChIKey is XFYVCTSDKJVHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c1-6-3-2-4-7-5-10-9-8(6)7/h2-5H,1H3.
What are the key properties of 7-methyl-2,1-benzoxazole?
7-methyl-2,1-benzoxazole has a molecular weight of 133.15 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,1-benzoxazole is sourced from PubChem (CID 14665861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).