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

C17H15N3O2 — CID 110390940

IUPACN-(3,4-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(NC(=O)c2nnc(-c3ccccc3)o2)cc1C
InChIInChI=1S/C17H15N3O2/c1-11-8-9-14(10-12(11)2)18-15(21)17-20-19-16(22-17)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,21)
InChIKeyTWNZAUVLVRRQQD-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.61
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110390940) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110390940
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-(3,4-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(NC(=O)c2nnc(-c3ccccc3)o2)cc1C
InChIInChI=1S/C17H15N3O2/c1-11-8-9-14(10-12(11)2)18-15(21)17-20-19-16(22-17)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,21)
InChIKeyTWNZAUVLVRRQQD-UHFFFAOYSA-N
XLogP3.61
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391121
N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390932
N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392716
N-(4-cyanophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391027
N-(3-chloro-4-methylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392149
5-(3-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110392496
5-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391609
N-(4-bromophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391151
N-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391030
N-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392549
3,4-dimethyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 110725536
N-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431746

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide (CID 110390940) is N-(3,4-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide is Cc1ccc(NC(=O)c2nnc(-c3ccccc3)o2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is TWNZAUVLVRRQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-8-9-14(10-12(11)2)18-15(21)17-20-19-16(22-17)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,21).
What are the key properties of N-(3,4-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
N-(3,4-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110390940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).