(5-methyl-4-nitro-1,2-oxazol-3-yl)-piperidin-1-ylmethanone

C10H13N3O4 — CID 20864747

IUPAC(5-methyl-4-nitro-1,2-oxazol-3-yl)-piperidin-1-ylmethanone
SMILESCc1onc(C(=O)N2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O4/c1-7-9(13(15)16)8(11-17-7)10(14)12-5-3-2-4-6-12/h2-6H2,1H3
InChIKeyHLVOSRTZXLRREF-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.52
Rot. Bonds2

About (5-methyl-4-nitro-1,2-oxazol-3-yl)-piperidin-1-ylmethanone

(5-methyl-4-nitro-1,2-oxazol-3-yl)-piperidin-1-ylmethanone (PubChem CID 20864747) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is (5-methyl-4-nitro-1,2-oxazol-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-methyl-4-nitro-1,2-oxazol-3-yl)-piperidin-1-ylmethanone
PubChem CID20864747
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name(5-methyl-4-nitro-1,2-oxazol-3-yl)-piperidin-1-ylmethanone
SMILESCc1onc(C(=O)N2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O4/c1-7-9(13(15)16)8(11-17-7)10(14)12-5-3-2-4-6-12/h2-6H2,1H3
InChIKeyHLVOSRTZXLRREF-UHFFFAOYSA-N
XLogP1.52
TPSA89.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.52
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 (5-methyl-4-nitro-1,2-oxazol-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (5-methyl-4-nitro-1,2-oxazol-3-yl)-piperidin-1-ylmethanone (CID 20864747) is (5-methyl-4-nitro-1,2-oxazol-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-methyl-4-nitro-1,2-oxazol-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-methyl-4-nitro-1,2-oxazol-3-yl)-piperidin-1-ylmethanone is Cc1onc(C(=O)N2CCCCC2)c1[N+](=O)[O-].
What is the InChIKey of (5-methyl-4-nitro-1,2-oxazol-3-yl)-piperidin-1-ylmethanone?
The InChIKey is HLVOSRTZXLRREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-7-9(13(15)16)8(11-17-7)10(14)12-5-3-2-4-6-12/h2-6H2,1H3.
What are the key properties of (5-methyl-4-nitro-1,2-oxazol-3-yl)-piperidin-1-ylmethanone?
(5-methyl-4-nitro-1,2-oxazol-3-yl)-piperidin-1-ylmethanone has a molecular weight of 239.23 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4-nitro-1,2-oxazol-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 20864747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).