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

C9H9NO2 — CID 125425410

IUPAC7-ethyl-1,2-benzoxazol-3-one
SMILESCCc1cccc2c(=O)[nH]oc12
InChIInChI=1S/C9H9NO2/c1-2-6-4-3-5-7-8(6)12-10-9(7)11/h3-5H,2H2,1H3,(H,10,11)
InChIKeyFNMASSTZJPGXEF-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.68
Rot. Bonds1

About 7-ethyl-1,2-benzoxazol-3-one

7-ethyl-1,2-benzoxazol-3-one (PubChem CID 125425410) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 7-ethyl-1,2-benzoxazol-3-one.

Molecular Properties

Compound Name7-ethyl-1,2-benzoxazol-3-one
PubChem CID125425410
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name7-ethyl-1,2-benzoxazol-3-one
SMILESCCc1cccc2c(=O)[nH]oc12
InChIInChI=1S/C9H9NO2/c1-2-6-4-3-5-7-8(6)12-10-9(7)11/h3-5H,2H2,1H3,(H,10,11)
InChIKeyFNMASSTZJPGXEF-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

7-chloro-1,2-benzoxazol-3-one
CID 11286706
4-ethyl-1,2-benzoxazol-3-one
CID 125426106
4-ethylxanthen-9-one
CID 15075530
8-ethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 114588827
azane;1-ethylnaphthalene
CID 19048185
8-ethyl-3-methyl-2-phenylchromen-4-one
CID 59679615
1-ethyl-9-methylcarbazole
CID 21455608
sodium;1-ethylnaphthalene;hydride
CID 174300793
7-ethyl-1,3-dimethylindole-2-carbaldehyde
CID 82491522
7-ethyl-3-phenyl-1,2-benzoxazole
CID 12562676
7-ethyl-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one
CID 84625460
4-ethyl-5-phenyl-1,2-oxazol-3-one
CID 13454114

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,2-benzoxazol-3-one?
The IUPAC name of 7-ethyl-1,2-benzoxazol-3-one (CID 125425410) is 7-ethyl-1,2-benzoxazol-3-one.
What is the SMILES notation for 7-ethyl-1,2-benzoxazol-3-one?
The canonical SMILES for 7-ethyl-1,2-benzoxazol-3-one is CCc1cccc2c(=O)[nH]oc12.
What is the InChIKey of 7-ethyl-1,2-benzoxazol-3-one?
The InChIKey is FNMASSTZJPGXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-2-6-4-3-5-7-8(6)12-10-9(7)11/h3-5H,2H2,1H3,(H,10,11).
What are the key properties of 7-ethyl-1,2-benzoxazol-3-one?
7-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 7-ethyl-1,2-benzoxazol-3-one is sourced from PubChem (CID 125425410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).