5-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide

C17H14ClN3O4 — CID 110391609

IUPAC5-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nnc(-c3ccc(Cl)cc3)o2)cc1OC
InChIInChI=1S/C17H14ClN3O4/c1-23-13-8-7-12(9-14(13)24-2)19-15(22)17-21-20-16(25-17)10-3-5-11(18)6-4-10/h3-9H,1-2H3,(H,19,22)
InChIKeyXVDLKELVORWJLT-UHFFFAOYSA-N
MW359.77 g/mol
LogP3.66
Rot. Bonds5

About 5-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide

5-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391609) has the molecular formula C17H14ClN3O4 and a molecular weight of 359.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391609
Molecular FormulaC17H14ClN3O4
Molecular Weight359.77 g/mol
Exact Mass359.07
IUPAC Name5-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nnc(-c3ccc(Cl)cc3)o2)cc1OC
InChIInChI=1S/C17H14ClN3O4/c1-23-13-8-7-12(9-14(13)24-2)19-15(22)17-21-20-16(25-17)10-3-5-11(18)6-4-10/h3-9H,1-2H3,(H,19,22)
InChIKeyXVDLKELVORWJLT-UHFFFAOYSA-N
XLogP3.66
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391599
5-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391547
N-(3-chloro-4-fluorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392712
N-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392915
N-(3-chloro-4-methylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392149
N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391442
N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392173
N-(3,4-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390940
N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392209
5-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 17128523
methyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391617
N-(5-chloro-2-methoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392529

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110391609) is 5-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is COc1ccc(NC(=O)c2nnc(-c3ccc(Cl)cc3)o2)cc1OC.
What is the InChIKey of 5-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is XVDLKELVORWJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4/c1-23-13-8-7-12(9-14(13)24-2)19-15(22)17-21-20-16(25-17)10-3-5-11(18)6-4-10/h3-9H,1-2H3,(H,19,22).
What are the key properties of 5-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
5-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 359.77 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).