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

C16H11Cl2N3O3 — CID 110391442

IUPACN-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C16H11Cl2N3O3/c1-23-13-6-5-11(18)8-12(13)19-14(22)16-21-20-15(24-16)9-3-2-4-10(17)7-9/h2-8H,1H3,(H,19,22)
InChIKeyQSJCMAZVFMYWJN-UHFFFAOYSA-N
MW364.19 g/mol
LogP4.30
Rot. Bonds4

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

N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391442) has the molecular formula C16H11Cl2N3O3 and a molecular weight of 364.19 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391442
Molecular FormulaC16H11Cl2N3O3
Molecular Weight364.19 g/mol
Exact Mass363.02
IUPAC NameN-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C16H11Cl2N3O3/c1-23-13-6-5-11(18)8-12(13)19-14(22)16-21-20-15(24-16)9-3-2-4-10(17)7-9/h2-8H,1H3,(H,19,22)
InChIKeyQSJCMAZVFMYWJN-UHFFFAOYSA-N
XLogP4.30
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392529
N-(5-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391768
5-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391599
N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 17252987
1-(5-chloro-2-methoxyphenyl)-3-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 52906586
5-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391609
3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7655642
5-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391457
N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392209
N-(3-chlorophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392521
5-chloro-N-(5-chloro-2-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625735
5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391456

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110391442) is N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide is COc1ccc(Cl)cc1NC(=O)c1nnc(-c2cccc(Cl)c2)o1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is QSJCMAZVFMYWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O3/c1-23-13-6-5-11(18)8-12(13)19-14(22)16-21-20-15(24-16)9-3-2-4-10(17)7-9/h2-8H,1H3,(H,19,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide?
N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 364.19 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).