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

C15H18N2O3 — CID 16878281

IUPACN-(3-methoxypropyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
SMILESCOCCCNC(=O)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C15H18N2O3/c1-19-9-5-8-16-15(18)11-13-10-14(20-17-13)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,16,18)
InChIKeyGDTATKQBWRRYHH-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.04
Rot. Bonds7

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

N-(3-methoxypropyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide (PubChem CID 16878281) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
PubChem CID16878281
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(3-methoxypropyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
SMILESCOCCCNC(=O)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C15H18N2O3/c1-19-9-5-8-16-15(18)11-13-10-14(20-17-13)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,16,18)
InChIKeyGDTATKQBWRRYHH-UHFFFAOYSA-N
XLogP2.04
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.04
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide (CID 16878281) is N-(3-methoxypropyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide is COCCCNC(=O)Cc1cc(-c2ccccc2)on1.
What is the InChIKey of N-(3-methoxypropyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is GDTATKQBWRRYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-19-9-5-8-16-15(18)11-13-10-14(20-17-13)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,16,18).
What are the key properties of N-(3-methoxypropyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide?
N-(3-methoxypropyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 274.32 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 16878281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).