ethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate

C18H14ClN3O4 — CID 110391348

IUPACethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H14ClN3O4/c1-2-25-18(24)12-8-4-6-10-14(12)20-15(23)17-22-21-16(26-17)11-7-3-5-9-13(11)19/h3-10H,2H2,1H3,(H,20,23)
InChIKeyIVVCEDRHPISCKV-UHFFFAOYSA-N
MW371.78 g/mol
LogP3.82
Rot. Bonds5

About ethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate

ethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate (PubChem CID 110391348) has the molecular formula C18H14ClN3O4 and a molecular weight of 371.78 g/mol. Its IUPAC name is ethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
PubChem CID110391348
Molecular FormulaC18H14ClN3O4
Molecular Weight371.78 g/mol
Exact Mass371.07
IUPAC Nameethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H14ClN3O4/c1-2-25-18(24)12-8-4-6-10-14(12)20-15(23)17-22-21-16(26-17)11-7-3-5-9-13(11)19/h3-10H,2H2,1H3,(H,20,23)
InChIKeyIVVCEDRHPISCKV-UHFFFAOYSA-N
XLogP3.82
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391789
5-(2-chlorophenyl)-N-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391288
methyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391617
methyl 2-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
CID 110334547
ethyl 2-[(2-chlorobenzenecarbothioyl)amino]benzoate
CID 170842399
ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate
CID 2394461
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
ethyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate
CID 6467478
ethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 110428348
ethyl 2-[3-[(2-chlorobenzoyl)amino]propanoylamino]benzoate
CID 7958134
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 54008795

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate (CID 110391348) is ethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of ethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate?
The InChIKey is IVVCEDRHPISCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O4/c1-2-25-18(24)12-8-4-6-10-14(12)20-15(23)17-22-21-16(26-17)11-7-3-5-9-13(11)19/h3-10H,2H2,1H3,(H,20,23).
What are the key properties of ethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate?
ethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate has a molecular weight of 371.78 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate is sourced from PubChem (CID 110391348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).