ethyl 3-[5-chloro-7-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanoate

C19H15Cl2NO5 — CID 10927669

IUPACethyl 3-[5-chloro-7-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanoate
SMILESCCOC(=O)CCn1c(=O)oc2c(C(=O)c3ccccc3Cl)cc(Cl)cc21
InChIInChI=1S/C19H15Cl2NO5/c1-2-26-16(23)7-8-22-15-10-11(20)9-13(18(15)27-19(22)25)17(24)12-5-3-4-6-14(12)21/h3-6,9-10H,2,7-8H2,1H3
InChIKeyBOYCEYPIZZCSPB-UHFFFAOYSA-N
MW408.24 g/mol
LogP4.09
Rot. Bonds6

About ethyl 3-[5-chloro-7-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanoate

ethyl 3-[5-chloro-7-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanoate (PubChem CID 10927669) has the molecular formula C19H15Cl2NO5 and a molecular weight of 408.24 g/mol. Its IUPAC name is ethyl 3-[5-chloro-7-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[5-chloro-7-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanoate
PubChem CID10927669
Molecular FormulaC19H15Cl2NO5
Molecular Weight408.24 g/mol
Exact Mass407.03
IUPAC Nameethyl 3-[5-chloro-7-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanoate
SMILESCCOC(=O)CCn1c(=O)oc2c(C(=O)c3ccccc3Cl)cc(Cl)cc21
InChIInChI=1S/C19H15Cl2NO5/c1-2-26-16(23)7-8-22-15-10-11(20)9-13(18(15)27-19(22)25)17(24)12-5-3-4-6-14(12)21/h3-6,9-10H,2,7-8H2,1H3
InChIKeyBOYCEYPIZZCSPB-UHFFFAOYSA-N
XLogP4.09
TPSA78.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[5-chloro-7-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanoate with MolForge

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Related Compounds

ethyl 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 121014059
4-(7-benzoyl-5-chloro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid
CID 10473649
ethyl 4-[[5-chloro-6-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]methyl]piperazine-1-carboxylate
CID 10344988
ethyl 4-(2-chlorophenyl)-4-oxobutanoate
CID 24727758
[2-(3,4-dichlorophenyl)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 9380892
ethyl 3-[2-(5-bromo-2-oxo-1,3-benzoxazol-3-yl)ethoxy]propanoate
CID 177200529
ethyl 2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxymethyl]furan-3-carboxylate
CID 27705808
[2-(2-fluorophenyl)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8726638
ethyl 3-(5,6-dichloro-3-methyl-2-sulfanylidenebenzimidazol-1-yl)propanoate
CID 21019417
[2-(3-chloroanilino)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8725899
[2-(difluoromethoxy)phenyl]methyl 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 43051005
ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate
CID 91637595

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-chloro-7-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanoate?
The IUPAC name of ethyl 3-[5-chloro-7-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanoate (CID 10927669) is ethyl 3-[5-chloro-7-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanoate.
What is the SMILES notation for ethyl 3-[5-chloro-7-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanoate?
The canonical SMILES for ethyl 3-[5-chloro-7-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanoate is CCOC(=O)CCn1c(=O)oc2c(C(=O)c3ccccc3Cl)cc(Cl)cc21.
What is the InChIKey of ethyl 3-[5-chloro-7-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanoate?
The InChIKey is BOYCEYPIZZCSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO5/c1-2-26-16(23)7-8-22-15-10-11(20)9-13(18(15)27-19(22)25)17(24)12-5-3-4-6-14(12)21/h3-6,9-10H,2,7-8H2,1H3.
What are the key properties of ethyl 3-[5-chloro-7-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanoate?
ethyl 3-[5-chloro-7-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanoate has a molecular weight of 408.24 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-chloro-7-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanoate is sourced from PubChem (CID 10927669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).