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

C16H13N3O3 — CID 10517939

IUPAC5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
SMILESCc1ccc(-c2nn(C(=O)Nc3ccccc3)c(=O)o2)cc1
InChIInChI=1S/C16H13N3O3/c1-11-7-9-12(10-8-11)14-18-19(16(21)22-14)15(20)17-13-5-3-2-4-6-13/h2-10H,1H3,(H,17,20)
InChIKeyGZMKGGYTIGMSLG-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.89
Rot. Bonds2

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

5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide (PubChem CID 10517939) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
PubChem CID10517939
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
SMILESCc1ccc(-c2nn(C(=O)Nc3ccccc3)c(=O)o2)cc1
InChIInChI=1S/C16H13N3O3/c1-11-7-9-12(10-8-11)14-18-19(16(21)22-14)15(20)17-13-5-3-2-4-6-13/h2-10H,1H3,(H,17,20)
InChIKeyGZMKGGYTIGMSLG-UHFFFAOYSA-N
XLogP2.89
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-Diphenyl-1,3,4-oxadiazol-2(3H)-one
CID 12412581
5-(4-methylphenyl)-3-{[(4-methylphenyl)amino]methyl}-1,3,4-oxadiazole-2(3H)-thione
CID 694207
3-(Anilinomethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione
CID 12929477
5-Phenyl-3-[(phenylamino)methyl]-1,3,4-oxadiazoline-2-thione
CID 816363
1-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 10133353
4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-N-phenylpiperazine-1-carboxamide
CID 17436437
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(phenylcarbamoyl)acetamide
CID 27040645
3-[(2-Fluoroanilino)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione
CID 124458764
3,6-Diphenyl-1,3,5-oxadiazine-2,4-dione
CID 12655636
5-(4-Aminophenyl)-3-(4-methylphenyl)-1,3,4-oxadiazol-2-one
CID 57824465
N-[1-(2,2-dimethyl-5-phenyl-1,3,4-oxadiazol-3-yl)ethenyl]aniline
CID 59956652
2,2-dimethyl-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide
CID 59956654

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide (CID 10517939) is 5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide is Cc1ccc(-c2nn(C(=O)Nc3ccccc3)c(=O)o2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide?
The InChIKey is GZMKGGYTIGMSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-11-7-9-12(10-8-11)14-18-19(16(21)22-14)15(20)17-13-5-3-2-4-6-13/h2-10H,1H3,(H,17,20).
What are the key properties of 5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide?
5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 10517939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).