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

C18H16ClN3O5 — CID 110392209

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(-c2nnc(C(=O)Nc3cc(OC)c(Cl)cc3OC)o2)cc1
InChIInChI=1S/C18H16ClN3O5/c1-24-11-6-4-10(5-7-11)17-21-22-18(27-17)16(23)20-13-9-14(25-2)12(19)8-15(13)26-3/h4-9H,1-3H3,(H,20,23)
InChIKeyMEZJYZHDSBRMDH-UHFFFAOYSA-N
MW389.80 g/mol
LogP3.67
Rot. Bonds6

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

N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392209) has the molecular formula C18H16ClN3O5 and a molecular weight of 389.80 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392209
Molecular FormulaC18H16ClN3O5
Molecular Weight389.80 g/mol
Exact Mass389.08
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(-c2nnc(C(=O)Nc3cc(OC)c(Cl)cc3OC)o2)cc1
InChIInChI=1S/C18H16ClN3O5/c1-24-11-6-4-10(5-7-11)17-21-22-18(27-17)16(23)20-13-9-14(25-2)12(19)8-15(13)26-3/h4-9H,1-3H3,(H,20,23)
InChIKeyMEZJYZHDSBRMDH-UHFFFAOYSA-N
XLogP3.67
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.80
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-4-methylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392149
5-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391599
N-(4-chloro-2,5-dimethoxyphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100503547
N-(2,3-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392130
N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392173
N-(2-cyanophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392213
5-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391609
N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391442
N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393516
5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
CID 110392031
N-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392032
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50827293

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392209) is N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is COc1ccc(-c2nnc(C(=O)Nc3cc(OC)c(Cl)cc3OC)o2)cc1.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is MEZJYZHDSBRMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O5/c1-24-11-6-4-10(5-7-11)17-21-22-18(27-17)16(23)20-13-9-14(25-2)12(19)8-15(13)26-3/h4-9H,1-3H3,(H,20,23).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 389.80 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).