ethyl 2-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-5-yl)oxy]acetate

C14H17NO5 — CID 70842795

IUPACethyl 2-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-5-yl)oxy]acetate
SMILESCCOC(=O)COc1ccc2oc(=O)n(C(C)C)c2c1
InChIInChI=1S/C14H17NO5/c1-4-18-13(16)8-19-10-5-6-12-11(7-10)15(9(2)3)14(17)20-12/h5-7,9H,4,8H2,1-3H3
InChIKeyCPWVNAXMYMKWLZ-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.12
Rot. Bonds5

About ethyl 2-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-5-yl)oxy]acetate

ethyl 2-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-5-yl)oxy]acetate (PubChem CID 70842795) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is ethyl 2-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-5-yl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-5-yl)oxy]acetate
PubChem CID70842795
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Nameethyl 2-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-5-yl)oxy]acetate
SMILESCCOC(=O)COc1ccc2oc(=O)n(C(C)C)c2c1
InChIInChI=1S/C14H17NO5/c1-4-18-13(16)8-19-10-5-6-12-11(7-10)15(9(2)3)14(17)20-12/h5-7,9H,4,8H2,1-3H3
InChIKeyCPWVNAXMYMKWLZ-UHFFFAOYSA-N
XLogP2.12
TPSA70.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-5-yl)oxy]acetate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-oxo-3-propan-2-yl-1,3-benzoxazole-5-carboxylate
CID 167310876
ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232
5-(aminooxymethyl)-3-propan-2-yl-1,3-benzoxazol-2-one
CID 117317967
2-(4-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)acetamide
CID 50797086
5-[(E)-3-aminoprop-1-enyl]-3-propan-2-yl-1,3-benzoxazol-2-one
CID 117336556
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)butanoate
CID 10636750
5-(2-methylpropyl)-3-propan-2-yl-1,3-benzoxazol-2-one
CID 59379708
ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate
CID 86689297
ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 4914742
ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride
CID 70346506
ethyl 2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetate
CID 2055070

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-5-yl)oxy]acetate?
The IUPAC name of ethyl 2-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-5-yl)oxy]acetate (CID 70842795) is ethyl 2-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-5-yl)oxy]acetate.
What is the SMILES notation for ethyl 2-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-5-yl)oxy]acetate?
The canonical SMILES for ethyl 2-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-5-yl)oxy]acetate is CCOC(=O)COc1ccc2oc(=O)n(C(C)C)c2c1.
What is the InChIKey of ethyl 2-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-5-yl)oxy]acetate?
The InChIKey is CPWVNAXMYMKWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-4-18-13(16)8-19-10-5-6-12-11(7-10)15(9(2)3)14(17)20-12/h5-7,9H,4,8H2,1-3H3.
What are the key properties of ethyl 2-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-5-yl)oxy]acetate?
ethyl 2-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-5-yl)oxy]acetate has a molecular weight of 279.29 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-5-yl)oxy]acetate is sourced from PubChem (CID 70842795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).