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

C23H24N4O4 — CID 8874575

IUPACN-cyclohexyl-2-methyl-3-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCc1c(C(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C23H24N4O4/c1-16-19(13-8-14-20(16)27(29)30)23(28)26(18-11-6-3-7-12-18)15-21-24-22(25-31-21)17-9-4-2-5-10-17/h2,4-5,8-10,13-14,18H,3,6-7,11-12,15H2,1H3
InChIKeyMFSYDXLHMIXTFG-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.93
Rot. Bonds6

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

N-cyclohexyl-2-methyl-3-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 8874575) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-3-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-3-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
PubChem CID8874575
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-cyclohexyl-2-methyl-3-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCc1c(C(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C23H24N4O4/c1-16-19(13-8-14-20(16)27(29)30)23(28)26(18-11-6-3-7-12-18)15-21-24-22(25-31-21)17-9-4-2-5-10-17/h2,4-5,8-10,13-14,18H,3,6-7,11-12,15H2,1H3
InChIKeyMFSYDXLHMIXTFG-UHFFFAOYSA-N
XLogP4.93
TPSA102.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.93
H-Bond Donors ≤ 50
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

N-cyclohexyl-2-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835592
N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitrobenzamide
CID 8836075
N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 7708635
N,2-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitrobenzamide
CID 8874577
4-tert-butyl-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 8835704
N-cyclohexyl-4-iodo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 2240067
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-3-nitro-N-prop-2-enylbenzamide
CID 8874592
N-cyclohexyl-2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8836434
(2S)-N-cyclohexyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 7679002
1-cyclohexyl-3-(2-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 7356916
4-tert-butyl-N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835715
N-(3-bromopropyl)-N-cyclobutyl-2-methyl-3-nitrobenzamide
CID 102872460

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-3-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The IUPAC name of N-cyclohexyl-2-methyl-3-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 8874575) is N-cyclohexyl-2-methyl-3-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-3-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The canonical SMILES for N-cyclohexyl-2-methyl-3-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is Cc1c(C(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)cccc1[N+](=O)[O-].
What is the InChIKey of N-cyclohexyl-2-methyl-3-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The InChIKey is MFSYDXLHMIXTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-16-19(13-8-14-20(16)27(29)30)23(28)26(18-11-6-3-7-12-18)15-21-24-22(25-31-21)17-9-4-2-5-10-17/h2,4-5,8-10,13-14,18H,3,6-7,11-12,15H2,1H3.
What are the key properties of N-cyclohexyl-2-methyl-3-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
N-cyclohexyl-2-methyl-3-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide has a molecular weight of 420.47 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-3-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 8874575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).