5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one

C10H13NO2 — CID 143342235

IUPAC5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one
SMILESCCC1=Cc2c(oc(=O)n2C)CC1
InChIInChI=1S/C10H13NO2/c1-3-7-4-5-9-8(6-7)11(2)10(12)13-9/h6H,3-5H2,1-2H3
InChIKeyLELSTUSLVYEFGM-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.72
Rot. Bonds1

About 5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one

5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one (PubChem CID 143342235) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one
PubChem CID143342235
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one
SMILESCCC1=Cc2c(oc(=O)n2C)CC1
InChIInChI=1S/C10H13NO2/c1-3-7-4-5-9-8(6-7)11(2)10(12)13-9/h6H,3-5H2,1-2H3
InChIKeyLELSTUSLVYEFGM-UHFFFAOYSA-N
XLogP1.72
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one?
The IUPAC name of 5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one (CID 143342235) is 5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one?
The canonical SMILES for 5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one is CCC1=Cc2c(oc(=O)n2C)CC1.
What is the InChIKey of 5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one?
The InChIKey is LELSTUSLVYEFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-7-4-5-9-8(6-7)11(2)10(12)13-9/h6H,3-5H2,1-2H3.
What are the key properties of 5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one?
5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one has a molecular weight of 179.22 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one is sourced from PubChem (CID 143342235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).