3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoro-4-nitrophenyl)pyridin-2-amine

C16H13FN4O3 — CID 176582753

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoro-4-nitrophenyl)pyridin-2-amine
SMILESCc1noc(C)c1-c1c(-c2ccc([N+](=O)[O-])cc2F)ccnc1N
InChIInChI=1S/C16H13FN4O3/c1-8-14(9(2)24-20-8)15-12(5-6-19-16(15)18)11-4-3-10(21(22)23)7-13(11)17/h3-7H,1-2H3,(H2,18,19)
InChIKeyYJPJSWRUJDERHJ-UHFFFAOYSA-N
MW328.30 g/mol
LogP3.65
Rot. Bonds3

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoro-4-nitrophenyl)pyridin-2-amine

3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoro-4-nitrophenyl)pyridin-2-amine (PubChem CID 176582753) has the molecular formula C16H13FN4O3 and a molecular weight of 328.30 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoro-4-nitrophenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoro-4-nitrophenyl)pyridin-2-amine
PubChem CID176582753
Molecular FormulaC16H13FN4O3
Molecular Weight328.30 g/mol
Exact Mass328.10
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoro-4-nitrophenyl)pyridin-2-amine
SMILESCc1noc(C)c1-c1c(-c2ccc([N+](=O)[O-])cc2F)ccnc1N
InChIInChI=1S/C16H13FN4O3/c1-8-14(9(2)24-20-8)15-12(5-6-19-16(15)18)11-4-3-10(21(22)23)7-13(11)17/h3-7H,1-2H3,(H2,18,19)
InChIKeyYJPJSWRUJDERHJ-UHFFFAOYSA-N
XLogP3.65
TPSA108.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 53.65
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'}

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoro-4-nitrophenyl)pyridin-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

2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-nitrophenoxy]ethanol
CID 163277239
ethyl 5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]-4-nitro-1-oxidopyridin-1-ium-2-carboxylate
CID 130320188
6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-nitropyridin-3-amine
CID 121441410
4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenol
CID 53219249
3-(2-fluoro-4-nitrophenyl)imidazo[1,2-a]pyrazine
CID 164834369
4-(4-fluorophenyl)-5-methyl-3-(4-nitrophenyl)-1,2-oxazole
CID 155538929
5-(2-methoxy-4-nitrophenyl)-4-methyl-1,2-oxazol-3-amine
CID 113452774
3,5-dimethyl-4-(6-nitro-3-pyridinyl)-1,2-oxazole
CID 121374373
N-[[5-(2-fluoro-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62341381
2-(2-fluoro-4-nitrophenyl)-5-methyl-4,5-dihydro-1H-imidazole
CID 70132056
2-(2-fluoro-4-methylphenyl)-3-(4-nitrophenyl)pyrazine
CID 126561368
4-fluoro-3-(2-methyl-4-nitrophenyl)pyridine
CID 66714730

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoro-4-nitrophenyl)pyridin-2-amine?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoro-4-nitrophenyl)pyridin-2-amine (CID 176582753) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoro-4-nitrophenyl)pyridin-2-amine.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoro-4-nitrophenyl)pyridin-2-amine?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoro-4-nitrophenyl)pyridin-2-amine is Cc1noc(C)c1-c1c(-c2ccc([N+](=O)[O-])cc2F)ccnc1N.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoro-4-nitrophenyl)pyridin-2-amine?
The InChIKey is YJPJSWRUJDERHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3/c1-8-14(9(2)24-20-8)15-12(5-6-19-16(15)18)11-4-3-10(21(22)23)7-13(11)17/h3-7H,1-2H3,(H2,18,19).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoro-4-nitrophenyl)pyridin-2-amine?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoro-4-nitrophenyl)pyridin-2-amine has a molecular weight of 328.30 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoro-4-nitrophenyl)pyridin-2-amine is sourced from PubChem (CID 176582753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).