2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide

C17H22N2O2 — CID 46529017

IUPAC2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C17H22N2O2/c1-3-4-8-11-18-16(20)12-15-13(2)21-17(19-15)14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,18,20)
InChIKeyVJJLCMKTUQFPOO-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.50
Rot. Bonds7

About 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide (PubChem CID 46529017) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide.

Molecular Properties

Compound Name2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
PubChem CID46529017
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C17H22N2O2/c1-3-4-8-11-18-16(20)12-15-13(2)21-17(19-15)14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,18,20)
InChIKeyVJJLCMKTUQFPOO-UHFFFAOYSA-N
XLogP3.50
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.50
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-butyl-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide
CID 110371856
N-(3-aminobutyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119497322
N-[2-(methylamino)-2-oxoethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 32562086
N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 95167723
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86776642
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 51336690
N-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110417936
4-hexoxy-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide
CID 30593411
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 30396724
N-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110417932
2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-N-octylacetamide
CID 145086226
N-(3-acetamidopropyl)-2-[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110630679

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide?
The IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide (CID 46529017) is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide.
What is the SMILES notation for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide?
The canonical SMILES for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide is CCCCCNC(=O)Cc1nc(-c2ccccc2)oc1C.
What is the InChIKey of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide?
The InChIKey is VJJLCMKTUQFPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-4-8-11-18-16(20)12-15-13(2)21-17(19-15)14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,18,20).
What are the key properties of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide?
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide has a molecular weight of 286.38 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide is sourced from PubChem (CID 46529017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).