6-ethyl-3-methyl-1,3-benzoxazol-2-one

C10H11NO2 — CID 13306084

IUPAC6-ethyl-3-methyl-1,3-benzoxazol-2-one
SMILESCCc1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C10H11NO2/c1-3-7-4-5-8-9(6-7)13-10(12)11(8)2/h4-6H,3H2,1-2H3
InChIKeyPUSZLJDKDNCRKR-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.69
Rot. Bonds1

About 6-ethyl-3-methyl-1,3-benzoxazol-2-one

6-ethyl-3-methyl-1,3-benzoxazol-2-one (PubChem CID 13306084) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 6-ethyl-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-ethyl-3-methyl-1,3-benzoxazol-2-one
PubChem CID13306084
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name6-ethyl-3-methyl-1,3-benzoxazol-2-one
SMILESCCc1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C10H11NO2/c1-3-7-4-5-8-9(6-7)13-10(12)11(8)2/h4-6H,3H2,1-2H3
InChIKeyPUSZLJDKDNCRKR-UHFFFAOYSA-N
XLogP1.69
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-ethyl-3-methyl-1,3-benzoxazol-2-one (CID 13306084) is 6-ethyl-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-ethyl-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-ethyl-3-methyl-1,3-benzoxazol-2-one is CCc1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of 6-ethyl-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is PUSZLJDKDNCRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-3-7-4-5-8-9(6-7)13-10(12)11(8)2/h4-6H,3H2,1-2H3.
What are the key properties of 6-ethyl-3-methyl-1,3-benzoxazol-2-one?
6-ethyl-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 177.20 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 13306084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).