2-[3-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hexyl-N-methylacetamide

C19H27FN2O2 — CID 123766433

IUPAC2-[3-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hexyl-N-methylacetamide
SMILESCCCCCCN(C)C(=O)CC1CC(c2ccc(C)c(F)c2)=NO1
InChIInChI=1S/C19H27FN2O2/c1-4-5-6-7-10-22(3)19(23)13-16-12-18(21-24-16)15-9-8-14(2)17(20)11-15/h8-9,11,16H,4-7,10,12-13H2,1-3H3
InChIKeyHMIWORVVHLRZCT-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.06
Rot. Bonds8

About 2-[3-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hexyl-N-methylacetamide

2-[3-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hexyl-N-methylacetamide (PubChem CID 123766433) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[3-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hexyl-N-methylacetamide
PubChem CID123766433
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name2-[3-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hexyl-N-methylacetamide
SMILESCCCCCCN(C)C(=O)CC1CC(c2ccc(C)c(F)c2)=NO1
InChIInChI=1S/C19H27FN2O2/c1-4-5-6-7-10-22(3)19(23)13-16-12-18(21-24-16)15-9-8-14(2)17(20)11-15/h8-9,11,16H,4-7,10,12-13H2,1-3H3
InChIKeyHMIWORVVHLRZCT-UHFFFAOYSA-N
XLogP4.06
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hexyl-N-methylacetamide?
The IUPAC name of 2-[3-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hexyl-N-methylacetamide (CID 123766433) is 2-[3-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hexyl-N-methylacetamide.
What is the SMILES notation for 2-[3-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hexyl-N-methylacetamide?
The canonical SMILES for 2-[3-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hexyl-N-methylacetamide is CCCCCCN(C)C(=O)CC1CC(c2ccc(C)c(F)c2)=NO1.
What is the InChIKey of 2-[3-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hexyl-N-methylacetamide?
The InChIKey is HMIWORVVHLRZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-4-5-6-7-10-22(3)19(23)13-16-12-18(21-24-16)15-9-8-14(2)17(20)11-15/h8-9,11,16H,4-7,10,12-13H2,1-3H3.
What are the key properties of 2-[3-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hexyl-N-methylacetamide?
2-[3-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hexyl-N-methylacetamide has a molecular weight of 334.44 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hexyl-N-methylacetamide is sourced from PubChem (CID 123766433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).