N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-3-nitropyridin-2-amine

C12H14N4O3 — CID 79035565

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-3-nitropyridin-2-amine
SMILESCc1cnc(NCc2c(C)noc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C12H14N4O3/c1-7-4-11(16(17)18)12(13-5-7)14-6-10-8(2)15-19-9(10)3/h4-5H,6H2,1-3H3,(H,13,14)
InChIKeyUQMGMGOZUVBABK-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.52
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-3-nitropyridin-2-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-3-nitropyridin-2-amine (PubChem CID 79035565) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-3-nitropyridin-2-amine
PubChem CID79035565
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-3-nitropyridin-2-amine
SMILESCc1cnc(NCc2c(C)noc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C12H14N4O3/c1-7-4-11(16(17)18)12(13-5-7)14-6-10-8(2)15-19-9(10)3/h4-5H,6H2,1-3H3,(H,13,14)
InChIKeyUQMGMGOZUVBABK-UHFFFAOYSA-N
XLogP2.52
TPSA94.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.52
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-3-nitropyridin-2-amine (CID 79035565) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-3-nitropyridin-2-amine is Cc1cnc(NCc2c(C)noc2C)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-3-nitropyridin-2-amine?
The InChIKey is UQMGMGOZUVBABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7-4-11(16(17)18)12(13-5-7)14-6-10-8(2)15-19-9(10)3/h4-5H,6H2,1-3H3,(H,13,14).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-3-nitropyridin-2-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-3-nitropyridin-2-amine has a molecular weight of 262.27 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 79035565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).