N-(5-oxo-5-pyrrolidin-1-ylpentyl)-3-phenyl-1,2-oxazole-5-carboxamide

C19H23N3O3 — CID 121262543

IUPACN-(5-oxo-5-pyrrolidin-1-ylpentyl)-3-phenyl-1,2-oxazole-5-carboxamide
SMILESO=C(NCCCCC(=O)N1CCCC1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C19H23N3O3/c23-18(22-12-6-7-13-22)10-4-5-11-20-19(24)17-14-16(21-25-17)15-8-2-1-3-9-15/h1-3,8-9,14H,4-7,10-13H2,(H,20,24)
InChIKeyCHRUBBOGPWCXIZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.86
Rot. Bonds7

About N-(5-oxo-5-pyrrolidin-1-ylpentyl)-3-phenyl-1,2-oxazole-5-carboxamide

N-(5-oxo-5-pyrrolidin-1-ylpentyl)-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 121262543) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(5-oxo-5-pyrrolidin-1-ylpentyl)-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-oxo-5-pyrrolidin-1-ylpentyl)-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID121262543
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-(5-oxo-5-pyrrolidin-1-ylpentyl)-3-phenyl-1,2-oxazole-5-carboxamide
SMILESO=C(NCCCCC(=O)N1CCCC1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C19H23N3O3/c23-18(22-12-6-7-13-22)10-4-5-11-20-19(24)17-14-16(21-25-17)15-8-2-1-3-9-15/h1-3,8-9,14H,4-7,10-13H2,(H,20,24)
InChIKeyCHRUBBOGPWCXIZ-UHFFFAOYSA-N
XLogP2.86
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.86
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

N-(3-oxo-3-piperidin-1-ylpropyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 121262550
3-phenyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide
CID 119393897
3-(4-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2-oxazole-5-carboxamide
CID 46445645
12-(benzylamino)-1-pyrrolidin-1-yldodecan-1-one
CID 146255651
3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119558710
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18157145
N-[1-(hydroxymethyl)cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 115877876
1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 119167795
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
N-[(1-cyanopyrrolidin-3-yl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 129246891
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55645989
N-[(3S)-3-ethoxy-4-methylpentyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 95935380

Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-5-pyrrolidin-1-ylpentyl)-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(5-oxo-5-pyrrolidin-1-ylpentyl)-3-phenyl-1,2-oxazole-5-carboxamide (CID 121262543) is N-(5-oxo-5-pyrrolidin-1-ylpentyl)-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-oxo-5-pyrrolidin-1-ylpentyl)-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(5-oxo-5-pyrrolidin-1-ylpentyl)-3-phenyl-1,2-oxazole-5-carboxamide is O=C(NCCCCC(=O)N1CCCC1)c1cc(-c2ccccc2)no1.
What is the InChIKey of N-(5-oxo-5-pyrrolidin-1-ylpentyl)-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is CHRUBBOGPWCXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-18(22-12-6-7-13-22)10-4-5-11-20-19(24)17-14-16(21-25-17)15-8-2-1-3-9-15/h1-3,8-9,14H,4-7,10-13H2,(H,20,24).
What are the key properties of N-(5-oxo-5-pyrrolidin-1-ylpentyl)-3-phenyl-1,2-oxazole-5-carboxamide?
N-(5-oxo-5-pyrrolidin-1-ylpentyl)-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-5-pyrrolidin-1-ylpentyl)-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 121262543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).