N-cyclohexyl-N,5-dimethyl-4-nitro-1,2-oxazole-3-carboxamide

C12H17N3O4 — CID 20864746

IUPACN-cyclohexyl-N,5-dimethyl-4-nitro-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)N(C)C2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O4/c1-8-11(15(17)18)10(13-19-8)12(16)14(2)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3
InChIKeyUEPBKNAZLDSRSL-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.30
Rot. Bonds3

About N-cyclohexyl-N,5-dimethyl-4-nitro-1,2-oxazole-3-carboxamide

N-cyclohexyl-N,5-dimethyl-4-nitro-1,2-oxazole-3-carboxamide (PubChem CID 20864746) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-cyclohexyl-N,5-dimethyl-4-nitro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N,5-dimethyl-4-nitro-1,2-oxazole-3-carboxamide
PubChem CID20864746
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-cyclohexyl-N,5-dimethyl-4-nitro-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)N(C)C2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O4/c1-8-11(15(17)18)10(13-19-8)12(16)14(2)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3
InChIKeyUEPBKNAZLDSRSL-UHFFFAOYSA-N
XLogP2.30
TPSA89.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.30
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-cyclohexyl-N,5-dimethyl-4-nitro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-N,5-dimethyl-4-nitro-1,2-oxazole-3-carboxamide (CID 20864746) is N-cyclohexyl-N,5-dimethyl-4-nitro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N,5-dimethyl-4-nitro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N,5-dimethyl-4-nitro-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)N(C)C2CCCCC2)c1[N+](=O)[O-].
What is the InChIKey of N-cyclohexyl-N,5-dimethyl-4-nitro-1,2-oxazole-3-carboxamide?
The InChIKey is UEPBKNAZLDSRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8-11(15(17)18)10(13-19-8)12(16)14(2)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-N,5-dimethyl-4-nitro-1,2-oxazole-3-carboxamide?
N-cyclohexyl-N,5-dimethyl-4-nitro-1,2-oxazole-3-carboxamide has a molecular weight of 267.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,5-dimethyl-4-nitro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 20864746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).