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

C17H12ClN3O4 — CID 110391617

IUPACmethyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H12ClN3O4/c1-24-17(23)12-4-2-3-5-13(12)19-14(22)16-21-20-15(25-16)10-6-8-11(18)9-7-10/h2-9H,1H3,(H,19,22)
InChIKeyUXSPHCPCZPSCIU-UHFFFAOYSA-N
MW357.75 g/mol
LogP3.43
Rot. Bonds4

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

methyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate (PubChem CID 110391617) has the molecular formula C17H12ClN3O4 and a molecular weight of 357.75 g/mol. Its IUPAC name is methyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
PubChem CID110391617
Molecular FormulaC17H12ClN3O4
Molecular Weight357.75 g/mol
Exact Mass357.05
IUPAC Namemethyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H12ClN3O4/c1-24-17(23)12-4-2-3-5-13(12)19-14(22)16-21-20-15(25-16)10-6-8-11(18)9-7-10/h2-9H,1H3,(H,19,22)
InChIKeyUXSPHCPCZPSCIU-UHFFFAOYSA-N
XLogP3.43
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.75
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate with MolForge

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Related Compounds

5-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391599
methyl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391789
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-chlorobenzoyl)amino]benzoate
CID 30221026
ethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391348
methyl 5-[4-fluoro-3-[(2-fluorobenzoyl)amino]phenyl]-1,3,4-oxadiazole-2-carboxylate
CID 142440216
N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390932
5-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391609
2-[(4-chlorobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45017764
N-(2-cyanophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392213
N-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392708
ethyl 2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 3913345
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate (CID 110391617) is methyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of methyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate?
The InChIKey is UXSPHCPCZPSCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O4/c1-24-17(23)12-4-2-3-5-13(12)19-14(22)16-21-20-15(25-16)10-6-8-11(18)9-7-10/h2-9H,1H3,(H,19,22).
What are the key properties of methyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate?
methyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate has a molecular weight of 357.75 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate is sourced from PubChem (CID 110391617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).