2-methyl-3-nitro-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide

C21H15N5O4 — CID 30330120

IUPAC2-methyl-3-nitro-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESCc1c(C(=O)Nc2ccccc2-c2nc(-c3ccccn3)no2)cccc1[N+](=O)[O-]
InChIInChI=1S/C21H15N5O4/c1-13-14(8-6-11-18(13)26(28)29)20(27)23-16-9-3-2-7-15(16)21-24-19(25-30-21)17-10-4-5-12-22-17/h2-12H,1H3,(H,23,27)
InChIKeyVQOVIPPTDXZHID-UHFFFAOYSA-N
MW401.38 g/mol
LogP4.27
Rot. Bonds5

About 2-methyl-3-nitro-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide

2-methyl-3-nitro-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (PubChem CID 30330120) has the molecular formula C21H15N5O4 and a molecular weight of 401.38 g/mol. Its IUPAC name is 2-methyl-3-nitro-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-3-nitro-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
PubChem CID30330120
Molecular FormulaC21H15N5O4
Molecular Weight401.38 g/mol
Exact Mass401.11
IUPAC Name2-methyl-3-nitro-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESCc1c(C(=O)Nc2ccccc2-c2nc(-c3ccccn3)no2)cccc1[N+](=O)[O-]
InChIInChI=1S/C21H15N5O4/c1-13-14(8-6-11-18(13)26(28)29)20(27)23-16-9-3-2-7-15(16)21-24-19(25-30-21)17-10-4-5-12-22-17/h2-12H,1H3,(H,23,27)
InChIKeyVQOVIPPTDXZHID-UHFFFAOYSA-N
XLogP4.27
TPSA124.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2-methyl-3-nitro-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330128
2-methoxy-3-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30334062
2-chloro-5-nitro-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330382
3-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329065
3,5-dimethoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330865
2-methyl-3-nitro-N-[2-(6-nitro-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5049639
4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329289
(E)-3-(3-nitrophenyl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]prop-2-enamide
CID 30332371
3-propoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330564
N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 710979
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-nitrobenzamide
CID 55764079
2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-nitro-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The IUPAC name of 2-methyl-3-nitro-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (CID 30330120) is 2-methyl-3-nitro-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-3-nitro-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The canonical SMILES for 2-methyl-3-nitro-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is Cc1c(C(=O)Nc2ccccc2-c2nc(-c3ccccn3)no2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-3-nitro-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The InChIKey is VQOVIPPTDXZHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O4/c1-13-14(8-6-11-18(13)26(28)29)20(27)23-16-9-3-2-7-15(16)21-24-19(25-30-21)17-10-4-5-12-22-17/h2-12H,1H3,(H,23,27).
What are the key properties of 2-methyl-3-nitro-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
2-methyl-3-nitro-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide has a molecular weight of 401.38 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-nitro-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 30330120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).