4-methyl-N-octan-3-yl-1,2-oxazole-5-carboxamide

C13H22N2O2 — CID 129166797

IUPAC4-methyl-N-octan-3-yl-1,2-oxazole-5-carboxamide
SMILESCCCCCC(CC)NC(=O)c1oncc1C
InChIInChI=1S/C13H22N2O2/c1-4-6-7-8-11(5-2)15-13(16)12-10(3)9-14-17-12/h9,11H,4-8H2,1-3H3,(H,15,16)
InChIKeyPUSFVIPAMFBBOA-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.07
Rot. Bonds7

About 4-methyl-N-octan-3-yl-1,2-oxazole-5-carboxamide

4-methyl-N-octan-3-yl-1,2-oxazole-5-carboxamide (PubChem CID 129166797) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-methyl-N-octan-3-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-octan-3-yl-1,2-oxazole-5-carboxamide
PubChem CID129166797
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-methyl-N-octan-3-yl-1,2-oxazole-5-carboxamide
SMILESCCCCCC(CC)NC(=O)c1oncc1C
InChIInChI=1S/C13H22N2O2/c1-4-6-7-8-11(5-2)15-13(16)12-10(3)9-14-17-12/h9,11H,4-8H2,1-3H3,(H,15,16)
InChIKeyPUSFVIPAMFBBOA-UHFFFAOYSA-N
XLogP3.07
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-5-methyl-1,2-oxazole-4-carboxamide
CID 3358009
3-[[(4-Methyl-1,2-oxazole-5-carbonyl)amino]methyl]pentanoic acid
CID 81065629
4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-5-carboxamide
CID 103750166
N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 103770285
N-(2,2-difluoro-3-hydroxypropyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 104857180
N-(3-amino-2,2-difluoropropyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 114383762
N-(2-fluoroethyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 130662841
N-[2-(1-methylcyclopentyl)ethyl]-1,2-oxazole-5-carboxamide
CID 23384209
3,6-Diazabicyclo[3.2.2]nonan-6-yl-(4-methyl-1,2-oxazol-5-yl)methanone
CID 45111687
N-(2-methylcyclopentyl)-1,2-oxazole-5-carboxamide
CID 57785773
N-(propan-2-yl)-1,2-oxazole-5-carboxamide
CID 59232268
N-[(1S,2S)-2-methylcyclopentyl]-1,2-oxazole-5-carboxamide
CID 59304487

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-octan-3-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-octan-3-yl-1,2-oxazole-5-carboxamide (CID 129166797) is 4-methyl-N-octan-3-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-octan-3-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-octan-3-yl-1,2-oxazole-5-carboxamide is CCCCCC(CC)NC(=O)c1oncc1C.
What is the InChIKey of 4-methyl-N-octan-3-yl-1,2-oxazole-5-carboxamide?
The InChIKey is PUSFVIPAMFBBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-6-7-8-11(5-2)15-13(16)12-10(3)9-14-17-12/h9,11H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 4-methyl-N-octan-3-yl-1,2-oxazole-5-carboxamide?
4-methyl-N-octan-3-yl-1,2-oxazole-5-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-octan-3-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 129166797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).