N-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-4-amine

C10H13N3O3 — CID 171513118

IUPACN-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-4-amine
SMILESCNC1COCN1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H13N3O3/c1-11-10-6-16-7-12(10)8-2-4-9(5-3-8)13(14)15/h2-5,10-11H,6-7H2,1H3
InChIKeyJWWWXFBDVJGLJD-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.93
Rot. Bonds3

About N-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-4-amine

N-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-4-amine (PubChem CID 171513118) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-4-amine.

Molecular Properties

Compound NameN-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-4-amine
PubChem CID171513118
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC NameN-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-4-amine
SMILESCNC1COCN1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H13N3O3/c1-11-10-6-16-7-12(10)8-2-4-9(5-3-8)13(14)15/h2-5,10-11H,6-7H2,1H3
InChIKeyJWWWXFBDVJGLJD-UHFFFAOYSA-N
XLogP0.93
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-2-one
CID 86166226
methyl 1-(4-nitrophenyl)aziridine-2-carboxylate
CID 11368029
1-(4-methylphenyl)-4-(4-nitrophenyl)piperazine
CID 12668784
(2R,6R)-2,6-dimethyl-4-(4-nitrophenyl)morpholine
CID 7062388
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
2-methoxy-1-(4-nitrophenyl)pyrrolidine
CID 90244532
3,4-dimethyl-1-(4-nitrophenyl)pyrrole
CID 794697
1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine
CID 101127745
7-(4-nitrophenyl)-3,5,7,7a-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole
CID 3745519
2-methyl-1-(4-nitrophenyl)piperidin-4-amine
CID 115313391
1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)-4-oxoimidazolidine-2-sulfonic acid
CID 174467647
2-(4-nitrophenyl)-2-azabicyclo[2.2.1]heptane
CID 123155106

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-4-amine?
The IUPAC name of N-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-4-amine (CID 171513118) is N-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-4-amine.
What is the SMILES notation for N-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-4-amine?
The canonical SMILES for N-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-4-amine is CNC1COCN1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-4-amine?
The InChIKey is JWWWXFBDVJGLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-11-10-6-16-7-12(10)8-2-4-9(5-3-8)13(14)15/h2-5,10-11H,6-7H2,1H3.
What are the key properties of N-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-4-amine?
N-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-4-amine has a molecular weight of 223.23 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-4-amine is sourced from PubChem (CID 171513118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).