4-methoxy-3-methyl-2,1-benzoxazole

C9H9NO2 — CID 119091546

IUPAC4-methoxy-3-methyl-2,1-benzoxazole
SMILESCOc1cccc2noc(C)c12
InChIInChI=1S/C9H9NO2/c1-6-9-7(10-12-6)4-3-5-8(9)11-2/h3-5H,1-2H3
InChIKeyDNTCWZLVQWATDN-UHFFFAOYSA-N
MW163.18 g/mol
LogP2.14
Rot. Bonds1

About 4-methoxy-3-methyl-2,1-benzoxazole

4-methoxy-3-methyl-2,1-benzoxazole (PubChem CID 119091546) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-methoxy-3-methyl-2,1-benzoxazole.

Molecular Properties

Compound Name4-methoxy-3-methyl-2,1-benzoxazole
PubChem CID119091546
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name4-methoxy-3-methyl-2,1-benzoxazole
SMILESCOc1cccc2noc(C)c12
InChIInChI=1S/C9H9NO2/c1-6-9-7(10-12-6)4-3-5-8(9)11-2/h3-5H,1-2H3
InChIKeyDNTCWZLVQWATDN-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 4-methoxy-3-methyl-2,1-benzoxazole?
The IUPAC name of 4-methoxy-3-methyl-2,1-benzoxazole (CID 119091546) is 4-methoxy-3-methyl-2,1-benzoxazole.
What is the SMILES notation for 4-methoxy-3-methyl-2,1-benzoxazole?
The canonical SMILES for 4-methoxy-3-methyl-2,1-benzoxazole is COc1cccc2noc(C)c12.
What is the InChIKey of 4-methoxy-3-methyl-2,1-benzoxazole?
The InChIKey is DNTCWZLVQWATDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-6-9-7(10-12-6)4-3-5-8(9)11-2/h3-5H,1-2H3.
What are the key properties of 4-methoxy-3-methyl-2,1-benzoxazole?
4-methoxy-3-methyl-2,1-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 4-methoxy-3-methyl-2,1-benzoxazole is sourced from PubChem (CID 119091546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).