3-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine

C10H9BrN4O3 — CID 79534435

IUPAC3-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine
SMILESCc1cc(CNc2ncc([N+](=O)[O-])cc2Br)no1
InChIInChI=1S/C10H9BrN4O3/c1-6-2-7(14-18-6)4-12-10-9(11)3-8(5-13-10)15(16)17/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyXCGMMOHOIIECLN-UHFFFAOYSA-N
MW313.11 g/mol
LogP2.66
Rot. Bonds4

About 3-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine

3-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine (PubChem CID 79534435) has the molecular formula C10H9BrN4O3 and a molecular weight of 313.11 g/mol. Its IUPAC name is 3-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine
PubChem CID79534435
Molecular FormulaC10H9BrN4O3
Molecular Weight313.11 g/mol
Exact Mass311.99
IUPAC Name3-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine
SMILESCc1cc(CNc2ncc([N+](=O)[O-])cc2Br)no1
InChIInChI=1S/C10H9BrN4O3/c1-6-2-7(14-18-6)4-12-10-9(11)3-8(5-13-10)15(16)17/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyXCGMMOHOIIECLN-UHFFFAOYSA-N
XLogP2.66
TPSA94.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.11
LogP ≤ 52.66
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-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-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

3-bromo-5-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
CID 114835829
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine
CID 47406157
N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-5-nitropyridin-2-amine
CID 81090772
2-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-nitroaniline
CID 47406152
5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-nitroaniline
CID 65341784
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-5-nitropyridin-2-amine
CID 79535255
3-bromo-N-tert-butyl-5-nitropyridin-2-amine
CID 82488870
1-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylpropan-2-ol
CID 79535072
3-bromo-N-[(4-fluorophenyl)methyl]-5-nitropyridin-2-amine
CID 79534423
6-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 80902807
6-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 62101050
3-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-nitropyridin-2-amine
CID 79534428

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine?
The IUPAC name of 3-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine (CID 79534435) is 3-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine?
The canonical SMILES for 3-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine is Cc1cc(CNc2ncc([N+](=O)[O-])cc2Br)no1.
What is the InChIKey of 3-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine?
The InChIKey is XCGMMOHOIIECLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O3/c1-6-2-7(14-18-6)4-12-10-9(11)3-8(5-13-10)15(16)17/h2-3,5H,4H2,1H3,(H,12,13).
What are the key properties of 3-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine?
3-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine has a molecular weight of 313.11 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 79534435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).