7-methoxy-5-methyl-1,2-benzoxazole

C9H9NO2 — CID 105432013

IUPAC7-methoxy-5-methyl-1,2-benzoxazole
SMILESCOc1cc(C)cc2cnoc12
InChIInChI=1S/C9H9NO2/c1-6-3-7-5-10-12-9(7)8(4-6)11-2/h3-5H,1-2H3
InChIKeyNXMVKXMKZLWFNU-UHFFFAOYSA-N
MW163.18 g/mol
LogP2.14
Rot. Bonds1

About 7-methoxy-5-methyl-1,2-benzoxazole

7-methoxy-5-methyl-1,2-benzoxazole (PubChem CID 105432013) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 7-methoxy-5-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name7-methoxy-5-methyl-1,2-benzoxazole
PubChem CID105432013
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name7-methoxy-5-methyl-1,2-benzoxazole
SMILESCOc1cc(C)cc2cnoc12
InChIInChI=1S/C9H9NO2/c1-6-3-7-5-10-12-9(7)8(4-6)11-2/h3-5H,1-2H3
InChIKeyNXMVKXMKZLWFNU-UHFFFAOYSA-N
XLogP2.14
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-methyl-1,2-benzoxazole?
The IUPAC name of 7-methoxy-5-methyl-1,2-benzoxazole (CID 105432013) is 7-methoxy-5-methyl-1,2-benzoxazole.
What is the SMILES notation for 7-methoxy-5-methyl-1,2-benzoxazole?
The canonical SMILES for 7-methoxy-5-methyl-1,2-benzoxazole is COc1cc(C)cc2cnoc12.
What is the InChIKey of 7-methoxy-5-methyl-1,2-benzoxazole?
The InChIKey is NXMVKXMKZLWFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-6-3-7-5-10-12-9(7)8(4-6)11-2/h3-5H,1-2H3.
What are the key properties of 7-methoxy-5-methyl-1,2-benzoxazole?
7-methoxy-5-methyl-1,2-benzoxazole has a molecular weight of 163.18 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-methyl-1,2-benzoxazole is sourced from PubChem (CID 105432013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).