2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-N-octylacetamide

C22H32N2O3 — CID 145086226

IUPAC2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-N-octylacetamide
SMILESCCCCCCCCNC(=O)COCc1nc(-c2ccc(C)cc2)oc1C
InChIInChI=1S/C22H32N2O3/c1-4-5-6-7-8-9-14-23-21(25)16-26-15-20-18(3)27-22(24-20)19-12-10-17(2)11-13-19/h10-13H,4-9,14-16H2,1-3H3,(H,23,25)
InChIKeyGEGWYMIJOGTUIG-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.95
Rot. Bonds12

About 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-N-octylacetamide

2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-N-octylacetamide (PubChem CID 145086226) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-N-octylacetamide.

Molecular Properties

Compound Name2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-N-octylacetamide
PubChem CID145086226
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-N-octylacetamide
SMILESCCCCCCCCNC(=O)COCc1nc(-c2ccc(C)cc2)oc1C
InChIInChI=1S/C22H32N2O3/c1-4-5-6-7-8-9-14-23-21(25)16-26-15-20-18(3)27-22(24-20)19-12-10-17(2)11-13-19/h10-13H,4-9,14-16H2,1-3H3,(H,23,25)
InChIKeyGEGWYMIJOGTUIG-UHFFFAOYSA-N
XLogP4.95
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]acetyl]azanide;rubidium(1+)
CID 145086257
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
CID 46529017
N-(3-ethoxypropyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 20860328
[2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]acetyl]azanide;rubidium(1+)
CID 145086248
N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]acetamide
CID 110415002
2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(3-propylsulfanylpropyl)acetamide
CID 20860680
1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-5-pyridin-3-ylpentan-2-one
CID 159594822
N-[3-(4-hydroxyphenyl)propyl]-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110424249
N-(4-methoxybutyl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110610248
2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(3-propan-2-yloxypropyl)acetamide
CID 20860662
N-butyl-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide
CID 110371856
N-butyl-2-[2-(4-methylanilino)-2-oxoethoxy]acetamide
CID 4694962

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-N-octylacetamide?
The IUPAC name of 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-N-octylacetamide (CID 145086226) is 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-N-octylacetamide.
What is the SMILES notation for 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-N-octylacetamide?
The canonical SMILES for 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-N-octylacetamide is CCCCCCCCNC(=O)COCc1nc(-c2ccc(C)cc2)oc1C.
What is the InChIKey of 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-N-octylacetamide?
The InChIKey is GEGWYMIJOGTUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-4-5-6-7-8-9-14-23-21(25)16-26-15-20-18(3)27-22(24-20)19-12-10-17(2)11-13-19/h10-13H,4-9,14-16H2,1-3H3,(H,23,25).
What are the key properties of 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-N-octylacetamide?
2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-N-octylacetamide has a molecular weight of 372.51 g/mol, XLogP of 4.95, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-N-octylacetamide is sourced from PubChem (CID 145086226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).