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

C10H11NO2 — CID 118491983

IUPAC3-ethoxy-6-methyl-1,2-benzoxazole
SMILESCCOc1noc2cc(C)ccc12
InChIInChI=1S/C10H11NO2/c1-3-12-10-8-5-4-7(2)6-9(8)13-11-10/h4-6H,3H2,1-2H3
InChIKeyXYDRTPWBWKMOCA-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.53
Rot. Bonds2

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

3-ethoxy-6-methyl-1,2-benzoxazole (PubChem CID 118491983) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3-ethoxy-6-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name3-ethoxy-6-methyl-1,2-benzoxazole
PubChem CID118491983
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name3-ethoxy-6-methyl-1,2-benzoxazole
SMILESCCOc1noc2cc(C)ccc12
InChIInChI=1S/C10H11NO2/c1-3-12-10-8-5-4-7(2)6-9(8)13-11-10/h4-6H,3H2,1-2H3
InChIKeyXYDRTPWBWKMOCA-UHFFFAOYSA-N
XLogP2.53
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-6-methyl-1,2-benzoxazole?
The IUPAC name of 3-ethoxy-6-methyl-1,2-benzoxazole (CID 118491983) is 3-ethoxy-6-methyl-1,2-benzoxazole.
What is the SMILES notation for 3-ethoxy-6-methyl-1,2-benzoxazole?
The canonical SMILES for 3-ethoxy-6-methyl-1,2-benzoxazole is CCOc1noc2cc(C)ccc12.
What is the InChIKey of 3-ethoxy-6-methyl-1,2-benzoxazole?
The InChIKey is XYDRTPWBWKMOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-3-12-10-8-5-4-7(2)6-9(8)13-11-10/h4-6H,3H2,1-2H3.
What are the key properties of 3-ethoxy-6-methyl-1,2-benzoxazole?
3-ethoxy-6-methyl-1,2-benzoxazole has a molecular weight of 177.20 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-6-methyl-1,2-benzoxazole is sourced from PubChem (CID 118491983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).