N-cyclohexyl-2-nitro-4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)aniline

C19H19N5O3 — CID 46263710

IUPACN-cyclohexyl-2-nitro-4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)aniline
SMILESO=[N+]([O-])c1cc(-c2noc(-c3ccccn3)n2)ccc1NC1CCCCC1
InChIInChI=1S/C19H19N5O3/c25-24(26)17-12-13(9-10-15(17)21-14-6-2-1-3-7-14)18-22-19(27-23-18)16-8-4-5-11-20-16/h4-5,8-12,14,21H,1-3,6-7H2
InChIKeyFHAVDZFHLGFNLB-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.45
Rot. Bonds5

About N-cyclohexyl-2-nitro-4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)aniline

N-cyclohexyl-2-nitro-4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)aniline (PubChem CID 46263710) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-cyclohexyl-2-nitro-4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)aniline.

Molecular Properties

Compound NameN-cyclohexyl-2-nitro-4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)aniline
PubChem CID46263710
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-cyclohexyl-2-nitro-4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)aniline
SMILESO=[N+]([O-])c1cc(-c2noc(-c3ccccn3)n2)ccc1NC1CCCCC1
InChIInChI=1S/C19H19N5O3/c25-24(26)17-12-13(9-10-15(17)21-14-6-2-1-3-7-14)18-22-19(27-23-18)16-8-4-5-11-20-16/h4-5,8-12,14,21H,1-3,6-7H2
InChIKeyFHAVDZFHLGFNLB-UHFFFAOYSA-N
XLogP4.45
TPSA106.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.45
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'}

Analyze N-cyclohexyl-2-nitro-4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-nitro-N-propan-2-yl-4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)aniline
CID 46263709
2-nitro-N-[[(2R)-oxolan-2-yl]methyl]-4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)aniline
CID 41168819
5-(3-nitro-4-pyrrolidin-1-ylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 46265071
3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-nitrophenyl]-5-pyridin-2-yl-1,2,4-oxadiazole
CID 46263717
N-(2,4-dinitrophenyl)cycloheptanamine
CID 9283016
4-(cyclopropylamino)-3-nitro-N-pyridin-2-ylbenzamide
CID 17405597
5-(4-methoxy-3-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 2183720
N-cyclohexyl-4-fluoro-2-nitroaniline
CID 12793832
5-(4-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 867097
2-nitro-N-propan-2-yl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)aniline
CID 46263676
N-cyclohexyl-2-nitro-4-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]aniline
CID 143152363
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-nitro-4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)aniline?
The IUPAC name of N-cyclohexyl-2-nitro-4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)aniline (CID 46263710) is N-cyclohexyl-2-nitro-4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)aniline.
What is the SMILES notation for N-cyclohexyl-2-nitro-4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)aniline?
The canonical SMILES for N-cyclohexyl-2-nitro-4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)aniline is O=[N+]([O-])c1cc(-c2noc(-c3ccccn3)n2)ccc1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-nitro-4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)aniline?
The InChIKey is FHAVDZFHLGFNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c25-24(26)17-12-13(9-10-15(17)21-14-6-2-1-3-7-14)18-22-19(27-23-18)16-8-4-5-11-20-16/h4-5,8-12,14,21H,1-3,6-7H2.
What are the key properties of N-cyclohexyl-2-nitro-4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)aniline?
N-cyclohexyl-2-nitro-4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)aniline has a molecular weight of 365.39 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-nitro-4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)aniline is sourced from PubChem (CID 46263710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).