4-methyl-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-2-amine

C10H10N4O3 — CID 103952381

IUPAC4-methyl-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-2-amine
SMILESCc1cc(NCc2ccno2)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O3/c1-7-4-10(12-6-9(7)14(15)16)11-5-8-2-3-13-17-8/h2-4,6H,5H2,1H3,(H,11,12)
InChIKeyKQPZFWXLVMIGRH-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.90
Rot. Bonds4

About 4-methyl-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-2-amine

4-methyl-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-2-amine (PubChem CID 103952381) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-methyl-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-2-amine
PubChem CID103952381
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name4-methyl-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-2-amine
SMILESCc1cc(NCc2ccno2)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O3/c1-7-4-10(12-6-9(7)14(15)16)11-5-8-2-3-13-17-8/h2-4,6H,5H2,1H3,(H,11,12)
InChIKeyKQPZFWXLVMIGRH-UHFFFAOYSA-N
XLogP1.90
TPSA94.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.90
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 4-methyl-5-nitro-N-(1,2-oxazol-5-ylmethyl)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

4-methyl-2-N-(1,2-oxazol-5-ylmethyl)pyridine-2,5-diamine
CID 106414445
4-methyl-3-nitro-N-(1,2-oxazol-5-ylmethyl)aniline
CID 113220621
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyridin-2-amine
CID 79176407
4-methyl-N-[(5-methylthiophen-2-yl)methyl]-5-nitropyridin-2-amine
CID 79176589
4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 79173432
[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107232424
N-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 82739931
N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 133328823
N-[(5-bromo-2-fluorophenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 79174054
N-[(4-bromo-3-fluorophenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 133342970
2-(methylamino)-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 106423055
N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 79173429

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-2-amine?
The IUPAC name of 4-methyl-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-2-amine (CID 103952381) is 4-methyl-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 4-methyl-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-2-amine?
The canonical SMILES for 4-methyl-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-2-amine is Cc1cc(NCc2ccno2)ncc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-2-amine?
The InChIKey is KQPZFWXLVMIGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-7-4-10(12-6-9(7)14(15)16)11-5-8-2-3-13-17-8/h2-4,6H,5H2,1H3,(H,11,12).
What are the key properties of 4-methyl-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-2-amine?
4-methyl-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-2-amine has a molecular weight of 234.22 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 103952381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).