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

C16H20N2O3 — CID 110619673

IUPACN-(4-methoxybutyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
SMILESCOCCCCNC(=O)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C16H20N2O3/c1-20-10-6-5-9-17-16(19)12-14-11-15(21-18-14)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H,17,19)
InChIKeyIDECHPBCCDDXJR-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.43
Rot. Bonds8

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

N-(4-methoxybutyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide (PubChem CID 110619673) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(4-methoxybutyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxybutyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
PubChem CID110619673
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(4-methoxybutyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
SMILESCOCCCCNC(=O)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C16H20N2O3/c1-20-10-6-5-9-17-16(19)12-14-11-15(21-18-14)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H,17,19)
InChIKeyIDECHPBCCDDXJR-UHFFFAOYSA-N
XLogP2.43
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.43
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-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)acetamide
CID 16878767
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyethyl)acetamide
CID 16878595
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-octylacetamide
CID 16879241
N-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313759
N-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878943
2-(5-phenyl-1,2-oxazol-3-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 110313138
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545
N-[3-(4-fluorophenoxy)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313468
N-(4-methoxyphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878325
N-[3-(diethylamino)propyl]-2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879115
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110313786
N-[(2R)-2-hydroxy-3-phenylpropyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 97227511

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-(4-methoxybutyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide (CID 110619673) is N-(4-methoxybutyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-(4-methoxybutyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-(4-methoxybutyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide is COCCCCNC(=O)Cc1cc(-c2ccccc2)on1.
What is the InChIKey of N-(4-methoxybutyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is IDECHPBCCDDXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-20-10-6-5-9-17-16(19)12-14-11-15(21-18-14)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H,17,19).
What are the key properties of N-(4-methoxybutyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide?
N-(4-methoxybutyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 2.43, 8 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-phenyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 110619673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).