5-methyl-3-[(E)-4-methylpent-1-enyl]-4-nitro-1,2-oxazole

C10H14N2O3 — CID 16773137

IUPAC5-methyl-3-[(E)-4-methylpent-1-enyl]-4-nitro-1,2-oxazole
SMILESCc1onc(/C=C/CC(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N2O3/c1-7(2)5-4-6-9-10(12(13)14)8(3)15-11-9/h4,6-7H,5H2,1-3H3/b6-4+
InChIKeyHSNPJAGCSCTZPS-GQCTYLIASA-N
MW210.23 g/mol
LogP2.95
Rot. Bonds4

About 5-methyl-3-[(E)-4-methylpent-1-enyl]-4-nitro-1,2-oxazole

5-methyl-3-[(E)-4-methylpent-1-enyl]-4-nitro-1,2-oxazole (PubChem CID 16773137) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-methyl-3-[(E)-4-methylpent-1-enyl]-4-nitro-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[(E)-4-methylpent-1-enyl]-4-nitro-1,2-oxazole
PubChem CID16773137
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-methyl-3-[(E)-4-methylpent-1-enyl]-4-nitro-1,2-oxazole
SMILESCc1onc(/C=C/CC(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N2O3/c1-7(2)5-4-6-9-10(12(13)14)8(3)15-11-9/h4,6-7H,5H2,1-3H3/b6-4+
InChIKeyHSNPJAGCSCTZPS-GQCTYLIASA-N
XLogP2.95
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-methyl-3-[(E)-4-methylpent-1-enyl]-4-nitro-1,2-oxazole?
The IUPAC name of 5-methyl-3-[(E)-4-methylpent-1-enyl]-4-nitro-1,2-oxazole (CID 16773137) is 5-methyl-3-[(E)-4-methylpent-1-enyl]-4-nitro-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[(E)-4-methylpent-1-enyl]-4-nitro-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[(E)-4-methylpent-1-enyl]-4-nitro-1,2-oxazole is Cc1onc(/C=C/CC(C)C)c1[N+](=O)[O-].
What is the InChIKey of 5-methyl-3-[(E)-4-methylpent-1-enyl]-4-nitro-1,2-oxazole?
The InChIKey is HSNPJAGCSCTZPS-GQCTYLIASA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(2)5-4-6-9-10(12(13)14)8(3)15-11-9/h4,6-7H,5H2,1-3H3/b6-4+.
What are the key properties of 5-methyl-3-[(E)-4-methylpent-1-enyl]-4-nitro-1,2-oxazole?
5-methyl-3-[(E)-4-methylpent-1-enyl]-4-nitro-1,2-oxazole has a molecular weight of 210.23 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(E)-4-methylpent-1-enyl]-4-nitro-1,2-oxazole is sourced from PubChem (CID 16773137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).