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

C11H12N4O3 — CID 103946656

IUPACN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-nitropyridin-3-amine
SMILESCc1cnc(C(C)Nc2cccnc2[N+](=O)[O-])o1
InChIInChI=1S/C11H12N4O3/c1-7-6-13-11(18-7)8(2)14-9-4-3-5-12-10(9)15(16)17/h3-6,8,14H,1-2H3
InChIKeyGTGLVYXYWGBMRI-UHFFFAOYSA-N
MW248.24 g/mol
LogP2.46
Rot. Bonds4

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

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-nitropyridin-3-amine (PubChem CID 103946656) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-nitropyridin-3-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-nitropyridin-3-amine
PubChem CID103946656
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-nitropyridin-3-amine
SMILESCc1cnc(C(C)Nc2cccnc2[N+](=O)[O-])o1
InChIInChI=1S/C11H12N4O3/c1-7-6-13-11(18-7)8(2)14-9-4-3-5-12-10(9)15(16)17/h3-6,8,14H,1-2H3
InChIKeyGTGLVYXYWGBMRI-UHFFFAOYSA-N
XLogP2.46
TPSA94.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 52.46
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

N-[1-(4-methoxyphenyl)ethyl]-2-nitropyridin-3-amine
CID 115597004
4-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-nitroaniline
CID 103946648
2-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
CID 112689948
2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 106387648
2-(difluoromethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitroaniline
CID 106388836
5-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitroaniline
CID 106388804
(2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol
CID 126999846
5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitropyridin-2-amine
CID 106388838
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
N-methyl-2-nitropyridin-3-amine
CID 555983
N-heptan-2-yl-2-nitropyridin-3-amine
CID 112686460

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-nitropyridin-3-amine?
The IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-nitropyridin-3-amine (CID 103946656) is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-nitropyridin-3-amine.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-nitropyridin-3-amine?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-nitropyridin-3-amine is Cc1cnc(C(C)Nc2cccnc2[N+](=O)[O-])o1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-nitropyridin-3-amine?
The InChIKey is GTGLVYXYWGBMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-7-6-13-11(18-7)8(2)14-9-4-3-5-12-10(9)15(16)17/h3-6,8,14H,1-2H3.
What are the key properties of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-nitropyridin-3-amine?
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-nitropyridin-3-amine has a molecular weight of 248.24 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-nitropyridin-3-amine is sourced from PubChem (CID 103946656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).