N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide

C16H13N3O2 — CID 110390932

IUPACN-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccccc1NC(=O)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H13N3O2/c1-11-7-5-6-10-13(11)17-14(20)16-19-18-15(21-16)12-8-3-2-4-9-12/h2-10H,1H3,(H,17,20)
InChIKeyMGMJQZYWEHQGAB-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.30
Rot. Bonds3

About N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide

N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110390932) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110390932
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccccc1NC(=O)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H13N3O2/c1-11-7-5-6-10-13(11)17-14(20)16-19-18-15(21-16)12-8-3-2-4-9-12/h2-10H,1H3,(H,17,20)
InChIKeyMGMJQZYWEHQGAB-UHFFFAOYSA-N
XLogP3.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-fluorophenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392497
5-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391928
N-(3,4-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390940
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-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391030
N-(2-morpholin-4-ylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390996
5-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391599
methyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391617
N-(4-cyanophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391027
N-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392708
N-(2-cyanophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392213

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide (CID 110390932) is N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide is Cc1ccccc1NC(=O)c1nnc(-c2ccccc2)o1.
What is the InChIKey of N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is MGMJQZYWEHQGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-7-5-6-10-13(11)17-14(20)16-19-18-15(21-16)12-8-3-2-4-9-12/h2-10H,1H3,(H,17,20).
What are the key properties of N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110390932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).