N-(4-methoxybutyl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide

C20H28N2O3 — CID 110610248

IUPACN-(4-methoxybutyl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide
SMILESCOCCCCNC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C
InChIInChI=1S/C20H28N2O3/c1-14(2)16-7-9-17(10-8-16)20-22-18(15(3)25-20)13-19(23)21-11-5-6-12-24-4/h7-10,14H,5-6,11-13H2,1-4H3,(H,21,23)
InChIKeyVSVHLIBOZBZPGN-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.86
Rot. Bonds9

About N-(4-methoxybutyl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide

N-(4-methoxybutyl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide (PubChem CID 110610248) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(4-methoxybutyl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxybutyl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide
PubChem CID110610248
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC NameN-(4-methoxybutyl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide
SMILESCOCCCCNC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C
InChIInChI=1S/C20H28N2O3/c1-14(2)16-7-9-17(10-8-16)20-22-18(15(3)25-20)13-19(23)21-11-5-6-12-24-4/h7-10,14H,5-6,11-13H2,1-4H3,(H,21,23)
InChIKeyVSVHLIBOZBZPGN-UHFFFAOYSA-N
XLogP3.86
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.86
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

methyl 2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetate
CID 22507119
2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-(4-methoxybutyl)acetamide
CID 110610249
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
CID 46529017
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110605980
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110625253
N-[3-(4-hydroxyphenyl)propyl]-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110424249
N-(3-acetamidopropyl)-2-[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110630679
N-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766794
2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(3-methoxypropyl)acetamide
CID 20860380
N-(3-aminobutyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119497322
2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
CID 110423975
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 51336690

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-(4-methoxybutyl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide (CID 110610248) is N-(4-methoxybutyl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-(4-methoxybutyl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-(4-methoxybutyl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide is COCCCCNC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C.
What is the InChIKey of N-(4-methoxybutyl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide?
The InChIKey is VSVHLIBOZBZPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14(2)16-7-9-17(10-8-16)20-22-18(15(3)25-20)13-19(23)21-11-5-6-12-24-4/h7-10,14H,5-6,11-13H2,1-4H3,(H,21,23).
What are the key properties of N-(4-methoxybutyl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide?
N-(4-methoxybutyl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide has a molecular weight of 344.46 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 110610248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).