N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide

C17H21N3O3 — CID 2217157

IUPACN-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H21N3O3/c21-17(18-7-4-8-20-9-11-22-12-10-20)15-13-16(23-19-15)14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12H2,(H,18,21)
InChIKeyYUGWEICZKZBDGT-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.79
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide

N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 2217157) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID2217157
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H21N3O3/c21-17(18-7-4-8-20-9-11-22-12-10-20)15-13-16(23-19-15)14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12H2,(H,18,21)
InChIKeyYUGWEICZKZBDGT-UHFFFAOYSA-N
XLogP1.79
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 2217157) is N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCCCN1CCOCC1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is YUGWEICZKZBDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-17(18-7-4-8-20-9-11-22-12-10-20)15-13-16(23-19-15)14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12H2,(H,18,21).
What are the key properties of N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2217157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).