4-ethyl-1,2-benzoxazol-3-one

C9H9NO2 — CID 125426106

IUPAC4-ethyl-1,2-benzoxazol-3-one
SMILESCCc1cccc2o[nH]c(=O)c12
InChIInChI=1S/C9H9NO2/c1-2-6-4-3-5-7-8(6)9(11)10-12-7/h3-5H,2H2,1H3,(H,10,11)
InChIKeySMEFYTIZTMNNMA-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.68
Rot. Bonds1

About 4-ethyl-1,2-benzoxazol-3-one

4-ethyl-1,2-benzoxazol-3-one (PubChem CID 125426106) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-ethyl-1,2-benzoxazol-3-one.

Molecular Properties

Compound Name4-ethyl-1,2-benzoxazol-3-one
PubChem CID125426106
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name4-ethyl-1,2-benzoxazol-3-one
SMILESCCc1cccc2o[nH]c(=O)c12
InChIInChI=1S/C9H9NO2/c1-2-6-4-3-5-7-8(6)9(11)10-12-7/h3-5H,2H2,1H3,(H,10,11)
InChIKeySMEFYTIZTMNNMA-UHFFFAOYSA-N
XLogP1.68
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1,2-benzoxazol-3-one
CID 23063978
7-ethyl-1,2-benzoxazol-3-one
CID 125425410
4-ethyl-2,3-dimethyl-1-benzofuran
CID 121007664
3-bromo-2,5-diethylchromen-4-one
CID 145057358
1,7-diethyldibenzofuran
CID 135251716
5-ethyl-1,3-benzoxazine-2,4-dione;octanoic acid
CID 175578445
4-ethyl-1,2-benzothiazol-3-one
CID 70397576
3-amino-4-ethyl-1-benzofuran-2-carboxylic acid
CID 66733988
4-ethylxanthen-9-one
CID 15075530
5-ethyl-2-(2-ethylphenyl)-3-methylchromen-4-one
CID 70447716
5-ethyl-[1]benzofuro[2,3-b]pyridine
CID 143904275
4-ethyl-5-phenyl-1,2-oxazol-3-one
CID 13454114

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,2-benzoxazol-3-one?
The IUPAC name of 4-ethyl-1,2-benzoxazol-3-one (CID 125426106) is 4-ethyl-1,2-benzoxazol-3-one.
What is the SMILES notation for 4-ethyl-1,2-benzoxazol-3-one?
The canonical SMILES for 4-ethyl-1,2-benzoxazol-3-one is CCc1cccc2o[nH]c(=O)c12.
What is the InChIKey of 4-ethyl-1,2-benzoxazol-3-one?
The InChIKey is SMEFYTIZTMNNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-2-6-4-3-5-7-8(6)9(11)10-12-7/h3-5H,2H2,1H3,(H,10,11).
What are the key properties of 4-ethyl-1,2-benzoxazol-3-one?
4-ethyl-1,2-benzoxazol-3-one has a molecular weight of 163.18 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,2-benzoxazol-3-one is sourced from PubChem (CID 125426106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).