N,N-dimethyl-2-(5-methyl-4-nitro-1,2-oxazol-3-yl)ethenamine

C8H11N3O3 — CID 57362090

IUPACN,N-dimethyl-2-(5-methyl-4-nitro-1,2-oxazol-3-yl)ethenamine
SMILESCc1onc(C=CN(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C8H11N3O3/c1-6-8(11(12)13)7(9-14-6)4-5-10(2)3/h4-5H,1-3H3
InChIKeyMSUVJIWBYIEEMR-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.42
Rot. Bonds3

About N,N-dimethyl-2-(5-methyl-4-nitro-1,2-oxazol-3-yl)ethenamine

N,N-dimethyl-2-(5-methyl-4-nitro-1,2-oxazol-3-yl)ethenamine (PubChem CID 57362090) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-methyl-4-nitro-1,2-oxazol-3-yl)ethenamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(5-methyl-4-nitro-1,2-oxazol-3-yl)ethenamine
PubChem CID57362090
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC NameN,N-dimethyl-2-(5-methyl-4-nitro-1,2-oxazol-3-yl)ethenamine
SMILESCc1onc(C=CN(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C8H11N3O3/c1-6-8(11(12)13)7(9-14-6)4-5-10(2)3/h4-5H,1-3H3
InChIKeyMSUVJIWBYIEEMR-UHFFFAOYSA-N
XLogP1.42
TPSA72.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.42
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(5-methyl-4-nitro-1,2-oxazol-3-yl)ethenamine?
The IUPAC name of N,N-dimethyl-2-(5-methyl-4-nitro-1,2-oxazol-3-yl)ethenamine (CID 57362090) is N,N-dimethyl-2-(5-methyl-4-nitro-1,2-oxazol-3-yl)ethenamine.
What is the SMILES notation for N,N-dimethyl-2-(5-methyl-4-nitro-1,2-oxazol-3-yl)ethenamine?
The canonical SMILES for N,N-dimethyl-2-(5-methyl-4-nitro-1,2-oxazol-3-yl)ethenamine is Cc1onc(C=CN(C)C)c1[N+](=O)[O-].
What is the InChIKey of N,N-dimethyl-2-(5-methyl-4-nitro-1,2-oxazol-3-yl)ethenamine?
The InChIKey is MSUVJIWBYIEEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-6-8(11(12)13)7(9-14-6)4-5-10(2)3/h4-5H,1-3H3.
What are the key properties of N,N-dimethyl-2-(5-methyl-4-nitro-1,2-oxazol-3-yl)ethenamine?
N,N-dimethyl-2-(5-methyl-4-nitro-1,2-oxazol-3-yl)ethenamine has a molecular weight of 197.19 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(5-methyl-4-nitro-1,2-oxazol-3-yl)ethenamine is sourced from PubChem (CID 57362090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).