N-(2-methyl-3-nitrophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide

C16H12N4O4 — CID 9083705

IUPACN-(2-methyl-3-nitrophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1c(NC(=O)c2ccc(-c3nnco3)cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H12N4O4/c1-10-13(3-2-4-14(10)20(22)23)18-15(21)11-5-7-12(8-6-11)16-19-17-9-24-16/h2-9H,1H3,(H,18,21)
InChIKeyBYAOJASCHCGFIV-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.21
Rot. Bonds4

About N-(2-methyl-3-nitrophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide

N-(2-methyl-3-nitrophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 9083705) has the molecular formula C16H12N4O4 and a molecular weight of 324.30 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
PubChem CID9083705
Molecular FormulaC16H12N4O4
Molecular Weight324.30 g/mol
Exact Mass324.09
IUPAC NameN-(2-methyl-3-nitrophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1c(NC(=O)c2ccc(-c3nnco3)cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H12N4O4/c1-10-13(3-2-4-14(10)20(22)23)18-15(21)11-5-7-12(8-6-11)16-19-17-9-24-16/h2-9H,1H3,(H,18,21)
InChIKeyBYAOJASCHCGFIV-UHFFFAOYSA-N
XLogP3.21
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 43708480
6-chloro-N-(2-methyl-3-nitrophenyl)pyridine-3-carboxamide
CID 9395574
(2-methyl-3-nitrophenyl)urea
CID 22416531
4-(ethylsulfanylmethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60528428
3-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 4111070
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 100709194
N-(2-methyl-3-nitrophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 26796676
5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide
CID 17255520
3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 103841663
N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011538
3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 5186267
4-(2-cyclopropylethynyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 58111637

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-(2-methyl-3-nitrophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide (CID 9083705) is N-(2-methyl-3-nitrophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide is Cc1c(NC(=O)c2ccc(-c3nnco3)cc2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-nitrophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is BYAOJASCHCGFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O4/c1-10-13(3-2-4-14(10)20(22)23)18-15(21)11-5-7-12(8-6-11)16-19-17-9-24-16/h2-9H,1H3,(H,18,21).
What are the key properties of N-(2-methyl-3-nitrophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide?
N-(2-methyl-3-nitrophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 324.30 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-nitrophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 9083705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).