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

C12H14N4O3 — CID 106388838

IUPAC5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitropyridin-2-amine
SMILESCc1cnc(C(C)Nc2cc([N+](=O)[O-])c(C)cn2)o1
InChIInChI=1S/C12H14N4O3/c1-7-5-13-11(4-10(7)16(17)18)15-9(3)12-14-6-8(2)19-12/h4-6,9H,1-3H3,(H,13,15)
InChIKeyWRLSESZKGXRUFY-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.77
Rot. Bonds4

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

5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitropyridin-2-amine (PubChem CID 106388838) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitropyridin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitropyridin-2-amine
PubChem CID106388838
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitropyridin-2-amine
SMILESCc1cnc(C(C)Nc2cc([N+](=O)[O-])c(C)cn2)o1
InChIInChI=1S/C12H14N4O3/c1-7-5-13-11(4-10(7)16(17)18)15-9(3)12-14-6-8(2)19-12/h4-6,9H,1-3H3,(H,13,15)
InChIKeyWRLSESZKGXRUFY-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
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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Related Compounds

5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyridin-2-amine
CID 83268567
5-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitroaniline
CID 106388804
4-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-nitroaniline
CID 103946648
N-[1-(2-chlorophenyl)ethyl]-5-methyl-4-nitropyridin-2-amine
CID 83268375
1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitro-3-propan-2-ylpyrazol-5-amine
CID 106388861
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methyl-4-nitropyridin-2-amine
CID 83267989
6-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyrimidin-4-amine
CID 114182515
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2-nitrophenyl)ethanamine
CID 103912148
6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 106390412
N-(1-cyclopentylethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267136
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-nitropyridin-3-amine
CID 103946656
2-(difluoromethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitroaniline
CID 106388836

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitropyridin-2-amine?
The IUPAC name of 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitropyridin-2-amine (CID 106388838) is 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitropyridin-2-amine.
What is the SMILES notation for 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitropyridin-2-amine?
The canonical SMILES for 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitropyridin-2-amine is Cc1cnc(C(C)Nc2cc([N+](=O)[O-])c(C)cn2)o1.
What is the InChIKey of 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitropyridin-2-amine?
The InChIKey is WRLSESZKGXRUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7-5-13-11(4-10(7)16(17)18)15-9(3)12-14-6-8(2)19-12/h4-6,9H,1-3H3,(H,13,15).
What are the key properties of 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitropyridin-2-amine?
5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitropyridin-2-amine has a molecular weight of 262.27 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitropyridin-2-amine is sourced from PubChem (CID 106388838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).