N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitro-6-phenylpyridin-2-amine

C17H16N4O3 — CID 133409123

IUPACN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitro-6-phenylpyridin-2-amine
SMILESCc1cc(CN(C)c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)no1
InChIInChI=1S/C17H16N4O3/c1-12-10-14(19-24-12)11-20(2)16-9-8-15(21(22)23)17(18-16)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyDNXCDUHLLHKNQA-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.59
Rot. Bonds5

About N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitro-6-phenylpyridin-2-amine

N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitro-6-phenylpyridin-2-amine (PubChem CID 133409123) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitro-6-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitro-6-phenylpyridin-2-amine
PubChem CID133409123
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitro-6-phenylpyridin-2-amine
SMILESCc1cc(CN(C)c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)no1
InChIInChI=1S/C17H16N4O3/c1-12-10-14(19-24-12)11-20(2)16-9-8-15(21(22)23)17(18-16)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyDNXCDUHLLHKNQA-UHFFFAOYSA-N
XLogP3.59
TPSA85.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.59
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'}

Analyze N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitro-6-phenylpyridin-2-amine 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

[4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-nitrophenyl]-phenylmethanone
CID 47026025
N-(2-ethylphenyl)-2-[methyl-(5-nitro-6-phenyl-2-pyridinyl)amino]acetamide
CID 133407585
1-(4-bromo-3-nitrophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 75470766
3-methyl-5-[[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 133408182
N,5,6-trimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridazin-3-amine
CID 133489512
3-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
CID 75515539
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]methanamine
CID 84591303
5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-nitroaniline
CID 65341784
4-(5-nitro-6-phenyl-2-pyridinyl)morpholine
CID 133407232
1-methyl-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine
CID 133407191
N,N-dimethyl-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine-1-carboxamide
CID 133409262
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-one
CID 27041288

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitro-6-phenylpyridin-2-amine?
The IUPAC name of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitro-6-phenylpyridin-2-amine (CID 133409123) is N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitro-6-phenylpyridin-2-amine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitro-6-phenylpyridin-2-amine?
The canonical SMILES for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitro-6-phenylpyridin-2-amine is Cc1cc(CN(C)c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)no1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitro-6-phenylpyridin-2-amine?
The InChIKey is DNXCDUHLLHKNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-12-10-14(19-24-12)11-20(2)16-9-8-15(21(22)23)17(18-16)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitro-6-phenylpyridin-2-amine?
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitro-6-phenylpyridin-2-amine has a molecular weight of 324.34 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitro-6-phenylpyridin-2-amine is sourced from PubChem (CID 133409123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).