N-hexyl-4-methyl-1,2-oxazole-5-carboxamide

C11H18N2O2 — CID 134509556

IUPACN-hexyl-4-methyl-1,2-oxazole-5-carboxamide
SMILESCCCCCCNC(=O)c1oncc1C
InChIInChI=1S/C11H18N2O2/c1-3-4-5-6-7-12-11(14)10-9(2)8-13-15-10/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyCWWKQIVITPFNNA-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.29
Rot. Bonds6

About N-hexyl-4-methyl-1,2-oxazole-5-carboxamide

N-hexyl-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 134509556) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-hexyl-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-hexyl-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID134509556
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-hexyl-4-methyl-1,2-oxazole-5-carboxamide
SMILESCCCCCCNC(=O)c1oncc1C
InChIInChI=1S/C11H18N2O2/c1-3-4-5-6-7-12-11(14)10-9(2)8-13-15-10/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyCWWKQIVITPFNNA-UHFFFAOYSA-N
XLogP2.29
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.29
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-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 2738872
N-((5-methylisoxazol-4-yl)methyl)isoxazole-5-carboxamide
CID 121172381
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
(3-Fluoroazetidin-1-yl)-(4-methyl-1,2-oxazol-5-yl)methanone
CID 130771056
N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 29105716
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
5-methyl-N-pentyl-1,2-oxazole-4-carboxamide
CID 53716859

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-hexyl-4-methyl-1,2-oxazole-5-carboxamide (CID 134509556) is N-hexyl-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-hexyl-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-hexyl-4-methyl-1,2-oxazole-5-carboxamide is CCCCCCNC(=O)c1oncc1C.
What is the InChIKey of N-hexyl-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is CWWKQIVITPFNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-4-5-6-7-12-11(14)10-9(2)8-13-15-10/h8H,3-7H2,1-2H3,(H,12,14).
What are the key properties of N-hexyl-4-methyl-1,2-oxazole-5-carboxamide?
N-hexyl-4-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 134509556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).