2-(2-ethyl-1,3-benzoxazol-5-yl)acetate

C11H10NO3- — CID 6986797

IUPAC2-(2-ethyl-1,3-benzoxazol-5-yl)acetate
SMILESCCc1nc2cc(CC(=O)[O-])ccc2o1
InChIInChI=1S/C11H11NO3/c1-2-10-12-8-5-7(6-11(13)14)3-4-9(8)15-10/h3-5H,2,6H2,1H3,(H,13,14)/p-1
InChIKeyHVDCPJSFTRJARN-UHFFFAOYSA-M
MW204.20 g/mol
LogP0.68
Rot. Bonds3

About 2-(2-ethyl-1,3-benzoxazol-5-yl)acetate

2-(2-ethyl-1,3-benzoxazol-5-yl)acetate (PubChem CID 6986797) has the molecular formula C11H10NO3- and a molecular weight of 204.20 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-benzoxazol-5-yl)acetate.

Molecular Properties

Compound Name2-(2-ethyl-1,3-benzoxazol-5-yl)acetate
PubChem CID6986797
Molecular FormulaC11H10NO3-
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name2-(2-ethyl-1,3-benzoxazol-5-yl)acetate
SMILESCCc1nc2cc(CC(=O)[O-])ccc2o1
InChIInChI=1S/C11H11NO3/c1-2-10-12-8-5-7(6-11(13)14)3-4-9(8)15-10/h3-5H,2,6H2,1H3,(H,13,14)/p-1
InChIKeyHVDCPJSFTRJARN-UHFFFAOYSA-M
XLogP0.68
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethyl-1,3-benzoxazol-5-yl)-2-methylpropan-1-one
CID 82285124
2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide
CID 52717820
3-(5-ethyl-1,3-benzoxazol-2-yl)propanoic acid
CID 79017178
2-bromo-1-(2-ethyl-1,3-benzoxazol-5-yl)ethanone
CID 131465087
ethyl 2-ethyl-1,3-benzoxazole-5-carboxylate
CID 1214797
2-ethyl-1,3-benzoxazole-5-thiol
CID 131010364
1-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylbutan-1-one
CID 82289175
N-(2-ethyl-1,3-benzoxazol-5-yl)-5-nitrofuran-2-carboxamide
CID 60556890
1-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]pyrrolidin-2-one
CID 86283567
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
2-ethyl-5-methylsulfanyl-1,3-benzoxazole
CID 131029020
2-ethyl-N-methyl-1,3-benzoxazol-5-amine
CID 63090196

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-benzoxazol-5-yl)acetate?
The IUPAC name of 2-(2-ethyl-1,3-benzoxazol-5-yl)acetate (CID 6986797) is 2-(2-ethyl-1,3-benzoxazol-5-yl)acetate.
What is the SMILES notation for 2-(2-ethyl-1,3-benzoxazol-5-yl)acetate?
The canonical SMILES for 2-(2-ethyl-1,3-benzoxazol-5-yl)acetate is CCc1nc2cc(CC(=O)[O-])ccc2o1.
What is the InChIKey of 2-(2-ethyl-1,3-benzoxazol-5-yl)acetate?
The InChIKey is HVDCPJSFTRJARN-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H11NO3/c1-2-10-12-8-5-7(6-11(13)14)3-4-9(8)15-10/h3-5H,2,6H2,1H3,(H,13,14)/p-1.
What are the key properties of 2-(2-ethyl-1,3-benzoxazol-5-yl)acetate?
2-(2-ethyl-1,3-benzoxazol-5-yl)acetate has a molecular weight of 204.20 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-benzoxazol-5-yl)acetate is sourced from PubChem (CID 6986797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).