N-(2-hydroxy-2,5-dimethylhexyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

C19H26N2O3 — CID 111485178

IUPACN-(2-hydroxy-2,5-dimethylhexyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCC(C)CCC(C)(O)CNC(=O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C19H26N2O3/c1-14(2)9-10-19(3,23)13-20-17(22)11-16-12-24-18(21-16)15-7-5-4-6-8-15/h4-8,12,14,23H,9-11,13H2,1-3H3,(H,20,22)
InChIKeySJOQWULOYIPYMI-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.19
Rot. Bonds8

About N-(2-hydroxy-2,5-dimethylhexyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

N-(2-hydroxy-2,5-dimethylhexyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 111485178) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(2-hydroxy-2,5-dimethylhexyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,5-dimethylhexyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID111485178
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-(2-hydroxy-2,5-dimethylhexyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCC(C)CCC(C)(O)CNC(=O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C19H26N2O3/c1-14(2)9-10-19(3,23)13-20-17(22)11-16-12-24-18(21-16)15-7-5-4-6-8-15/h4-8,12,14,23H,9-11,13H2,1-3H3,(H,20,22)
InChIKeySJOQWULOYIPYMI-UHFFFAOYSA-N
XLogP3.19
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-Fluorophenyl)-1,3-oxazol-4-yl]acetic acid
CID 3244952
2-(2-Phenyl-1,3-oxazol-4-yl)acetic acid
CID 7131950
N-cyclohexyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 3239761
N-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 3243889
4-{[2-(4-Fluorophenyl)-1,3-oxazol-4-yl]acetyl}morpholine
CID 3244402
N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10126996
N-[[4-[4-(3-hydroxypiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10151034
N-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10173001
N-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10173261
N-[[4-[4-(4-hydroxypiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10194598
N-[[4-[4-(3-methoxypiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 44415754
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methylpiperidine-1-carboxamide
CID 53610188

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (CID 111485178) is N-(2-hydroxy-2,5-dimethylhexyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-2,5-dimethylhexyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-2,5-dimethylhexyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is CC(C)CCC(C)(O)CNC(=O)Cc1coc(-c2ccccc2)n1.
What is the InChIKey of N-(2-hydroxy-2,5-dimethylhexyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is SJOQWULOYIPYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14(2)9-10-19(3,23)13-20-17(22)11-16-12-24-18(21-16)15-7-5-4-6-8-15/h4-8,12,14,23H,9-11,13H2,1-3H3,(H,20,22).
What are the key properties of N-(2-hydroxy-2,5-dimethylhexyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
N-(2-hydroxy-2,5-dimethylhexyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 330.43 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,5-dimethylhexyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 111485178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).