5-ethyl-4-methyl-N-(3-methyl-3-propyloctan-2-yl)-1,2-oxazole-3-carboxamide

C19H34N2O2 — CID 160612046

IUPAC5-ethyl-4-methyl-N-(3-methyl-3-propyloctan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCCCCC(C)(CCC)C(C)NC(=O)c1noc(CC)c1C
InChIInChI=1S/C19H34N2O2/c1-7-10-11-13-19(6,12-8-2)15(5)20-18(22)17-14(4)16(9-3)23-21-17/h15H,7-13H2,1-6H3,(H,20,22)
InChIKeySFXBHHUKQRTHFI-UHFFFAOYSA-N
MW322.49 g/mol
LogP5.05
Rot. Bonds10

About 5-ethyl-4-methyl-N-(3-methyl-3-propyloctan-2-yl)-1,2-oxazole-3-carboxamide

5-ethyl-4-methyl-N-(3-methyl-3-propyloctan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 160612046) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-(3-methyl-3-propyloctan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-(3-methyl-3-propyloctan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID160612046
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name5-ethyl-4-methyl-N-(3-methyl-3-propyloctan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCCCCC(C)(CCC)C(C)NC(=O)c1noc(CC)c1C
InChIInChI=1S/C19H34N2O2/c1-7-10-11-13-19(6,12-8-2)15(5)20-18(22)17-14(4)16(9-3)23-21-17/h15H,7-13H2,1-6H3,(H,20,22)
InChIKeySFXBHHUKQRTHFI-UHFFFAOYSA-N
XLogP5.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-ethyl-4-methyl-N-(3-methyl-3-propyloctan-2-yl)-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 5-ethyl-4-methyl-N-(3-methyl-3-propyloctan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-ethyl-4-methyl-N-(3-methyl-3-propyloctan-2-yl)-1,2-oxazole-3-carboxamide (CID 160612046) is 5-ethyl-4-methyl-N-(3-methyl-3-propyloctan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-4-methyl-N-(3-methyl-3-propyloctan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-ethyl-4-methyl-N-(3-methyl-3-propyloctan-2-yl)-1,2-oxazole-3-carboxamide is CCCCCC(C)(CCC)C(C)NC(=O)c1noc(CC)c1C.
What is the InChIKey of 5-ethyl-4-methyl-N-(3-methyl-3-propyloctan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is SFXBHHUKQRTHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-7-10-11-13-19(6,12-8-2)15(5)20-18(22)17-14(4)16(9-3)23-21-17/h15H,7-13H2,1-6H3,(H,20,22).
What are the key properties of 5-ethyl-4-methyl-N-(3-methyl-3-propyloctan-2-yl)-1,2-oxazole-3-carboxamide?
5-ethyl-4-methyl-N-(3-methyl-3-propyloctan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 322.49 g/mol, XLogP of 5.05, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-(3-methyl-3-propyloctan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 160612046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).