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

C18H16N4O4 — CID 110392173

IUPACN-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(-c2nnc(C(=O)Nc3ccc(NC(C)=O)cc3)o2)cc1
InChIInChI=1S/C18H16N4O4/c1-11(23)19-13-5-7-14(8-6-13)20-16(24)18-22-21-17(26-18)12-3-9-15(25-2)10-4-12/h3-10H,1-2H3,(H,19,23)(H,20,24)
InChIKeyMISSMOYOBHRDBQ-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.96
Rot. Bonds5

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

N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392173) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392173
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC NameN-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(-c2nnc(C(=O)Nc3ccc(NC(C)=O)cc3)o2)cc1
InChIInChI=1S/C18H16N4O4/c1-11(23)19-13-5-7-14(8-6-13)20-16(24)18-22-21-17(26-18)12-3-9-15(25-2)10-4-12/h3-10H,1-2H3,(H,19,23)(H,20,24)
InChIKeyMISSMOYOBHRDBQ-UHFFFAOYSA-N
XLogP2.96
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392149
4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
CID 50843851
5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
CID 110392031
N-(4-acetylphenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391980
N-(4-bromophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391151
5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391121
N-(2,3-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392130
N-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392032
N-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392549
2-(4-methoxyphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 17171857
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

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392173) is N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is COc1ccc(-c2nnc(C(=O)Nc3ccc(NC(C)=O)cc3)o2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is MISSMOYOBHRDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-11(23)19-13-5-7-14(8-6-13)20-16(24)18-22-21-17(26-18)12-3-9-15(25-2)10-4-12/h3-10H,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).