(2,6-dimethylpiperidin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone

C14H21N3O4 — CID 12005004

IUPAC(2,6-dimethylpiperidin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC(C)c1onc(C(=O)N2C(C)CCCC2C)c1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O4/c1-8(2)13-12(17(19)20)11(15-21-13)14(18)16-9(3)6-5-7-10(16)4/h8-10H,5-7H2,1-4H3
InChIKeyMKBBHXUZQCSDIT-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.11
Rot. Bonds3

About (2,6-dimethylpiperidin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone

(2,6-dimethylpiperidin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 12005004) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID12005004
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name(2,6-dimethylpiperidin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC(C)c1onc(C(=O)N2C(C)CCCC2C)c1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O4/c1-8(2)13-12(17(19)20)11(15-21-13)14(18)16-9(3)6-5-7-10(16)4/h8-10H,5-7H2,1-4H3
InChIKeyMKBBHXUZQCSDIT-UHFFFAOYSA-N
XLogP3.11
TPSA89.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.11
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 (2,6-dimethylpiperidin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone (CID 12005004) is (2,6-dimethylpiperidin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone is CC(C)c1onc(C(=O)N2C(C)CCCC2C)c1[N+](=O)[O-].
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is MKBBHXUZQCSDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-8(2)13-12(17(19)20)11(15-21-13)14(18)16-9(3)6-5-7-10(16)4/h8-10H,5-7H2,1-4H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone?
(2,6-dimethylpiperidin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 295.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 12005004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).