[2-(4-chloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate

C18H13ClN2O4 — CID 55835848

IUPAC[2-(4-chloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate
SMILESO=C(COC(=O)c1ccc(-c2cnco2)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN2O4/c19-14-5-7-15(8-6-14)21-17(22)10-24-18(23)13-3-1-12(2-4-13)16-9-20-11-25-16/h1-9,11H,10H2,(H,21,22)
InChIKeySFDMUPHVGUGRFC-UHFFFAOYSA-N
MW356.77 g/mol
LogP3.79
Rot. Bonds5

About [2-(4-chloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate

[2-(4-chloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate (PubChem CID 55835848) has the molecular formula C18H13ClN2O4 and a molecular weight of 356.77 g/mol. Its IUPAC name is [2-(4-chloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate.

Molecular Properties

Compound Name[2-(4-chloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate
PubChem CID55835848
Molecular FormulaC18H13ClN2O4
Molecular Weight356.77 g/mol
Exact Mass356.06
IUPAC Name[2-(4-chloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate
SMILESO=C(COC(=O)c1ccc(-c2cnco2)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN2O4/c19-14-5-7-15(8-6-14)21-17(22)10-24-18(23)13-3-1-12(2-4-13)16-9-20-11-25-16/h1-9,11H,10H2,(H,21,22)
InChIKeySFDMUPHVGUGRFC-UHFFFAOYSA-N
XLogP3.79
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate
CID 55837261
2-methoxy-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 60812605
[2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 724983
[2-(4-iodo-2-methylanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate
CID 55996026
[2-(4-chloroanilino)-2-oxoethyl] 4-(phenylcarbamoylamino)benzoate
CID 19059171
6-amino-N-[4-(1,3-oxazol-5-yl)phenyl]hexanamide
CID 60927435
4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide
CID 63307748
4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid
CID 54866818
[2-(4-chloroanilino)-2-oxoethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate
CID 23744272
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate
CID 2444631
[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 7574746
2-(4-chlorophenoxy)-2-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 78890225

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate?
The IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate (CID 55835848) is [2-(4-chloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate.
What is the SMILES notation for [2-(4-chloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate?
The canonical SMILES for [2-(4-chloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate is O=C(COC(=O)c1ccc(-c2cnco2)cc1)Nc1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate?
The InChIKey is SFDMUPHVGUGRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O4/c19-14-5-7-15(8-6-14)21-17(22)10-24-18(23)13-3-1-12(2-4-13)16-9-20-11-25-16/h1-9,11H,10H2,(H,21,22).
What are the key properties of [2-(4-chloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate?
[2-(4-chloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate has a molecular weight of 356.77 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate is sourced from PubChem (CID 55835848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).