3-(2-ethoxybenzoyl)-1,3-benzoxazol-2-one

C16H13NO4 — CID 20965388

IUPAC3-(2-ethoxybenzoyl)-1,3-benzoxazol-2-one
SMILESCCOc1ccccc1C(=O)n1c(=O)oc2ccccc21
InChIInChI=1S/C16H13NO4/c1-2-20-13-9-5-3-7-11(13)15(18)17-12-8-4-6-10-14(12)21-16(17)19/h3-10H,2H2,1H3
InChIKeyOQVDUJXIFVFFKA-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.68
Rot. Bonds3

About 3-(2-ethoxybenzoyl)-1,3-benzoxazol-2-one

3-(2-ethoxybenzoyl)-1,3-benzoxazol-2-one (PubChem CID 20965388) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 3-(2-ethoxybenzoyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(2-ethoxybenzoyl)-1,3-benzoxazol-2-one
PubChem CID20965388
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name3-(2-ethoxybenzoyl)-1,3-benzoxazol-2-one
SMILESCCOc1ccccc1C(=O)n1c(=O)oc2ccccc21
InChIInChI=1S/C16H13NO4/c1-2-20-13-9-5-3-7-11(13)15(18)17-12-8-4-6-10-14(12)21-16(17)19/h3-10H,2H2,1H3
InChIKeyOQVDUJXIFVFFKA-UHFFFAOYSA-N
XLogP2.68
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzotriazol-1-yl-(2-ethoxyphenyl)methanone
CID 3418628
3-(1-naphthalen-1-ylnaphthalene-2-carbonyl)-1,3-benzoxazol-2-one
CID 102590829
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
2-ethoxybenzoic acid;zinc
CID 172723273
2-ethoxybenzoyl bromide
CID 19426336
2-ethoxybenzenecarboperoxoic acid
CID 22314606
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone
CID 17250136
2-amino-1-(2-ethoxyphenyl)butan-1-one
CID 116583912
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-ethoxyphenyl)methanone
CID 102938261
3-[3-(4-propylphenyl)propanoyl]-1,3-benzoxazol-2-one
CID 149456763
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxybenzoyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-(2-ethoxybenzoyl)-1,3-benzoxazol-2-one (CID 20965388) is 3-(2-ethoxybenzoyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(2-ethoxybenzoyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(2-ethoxybenzoyl)-1,3-benzoxazol-2-one is CCOc1ccccc1C(=O)n1c(=O)oc2ccccc21.
What is the InChIKey of 3-(2-ethoxybenzoyl)-1,3-benzoxazol-2-one?
The InChIKey is OQVDUJXIFVFFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-2-20-13-9-5-3-7-11(13)15(18)17-12-8-4-6-10-14(12)21-16(17)19/h3-10H,2H2,1H3.
What are the key properties of 3-(2-ethoxybenzoyl)-1,3-benzoxazol-2-one?
3-(2-ethoxybenzoyl)-1,3-benzoxazol-2-one has a molecular weight of 283.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxybenzoyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 20965388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).