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

C11H15N3O4 — CID 20864741

IUPACN-cyclohexyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NC2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4/c1-7-10(14(16)17)9(13-18-7)11(15)12-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,12,15)
InChIKeyKSHBLOBHIQVQNY-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.95
Rot. Bonds3

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

N-cyclohexyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide (PubChem CID 20864741) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-cyclohexyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
PubChem CID20864741
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-cyclohexyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NC2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4/c1-7-10(14(16)17)9(13-18-7)11(15)12-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,12,15)
InChIKeyKSHBLOBHIQVQNY-UHFFFAOYSA-N
XLogP1.95
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
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'}

Analyze N-cyclohexyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide (CID 20864741) is N-cyclohexyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)NC2CCCCC2)c1[N+](=O)[O-].
What is the InChIKey of N-cyclohexyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide?
The InChIKey is KSHBLOBHIQVQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7-10(14(16)17)9(13-18-7)11(15)12-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,12,15).
What are the key properties of N-cyclohexyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide?
N-cyclohexyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide has a molecular weight of 253.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 20864741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).