N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide

C16H24N4O3 — CID 3870656

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1coc(C2CCNCC2)n1
InChIInChI=1S/C16H24N4O3/c21-14-3-1-9-20(14)10-2-6-18-15(22)13-11-23-16(19-13)12-4-7-17-8-5-12/h11-12,17H,1-10H2,(H,18,22)
InChIKeyYPLDIILGYJQIHR-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.88
Rot. Bonds6

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (PubChem CID 3870656) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
PubChem CID3870656
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1coc(C2CCNCC2)n1
InChIInChI=1S/C16H24N4O3/c21-14-3-1-9-20(14)10-2-6-18-15(22)13-11-23-16(19-13)12-4-7-17-8-5-12/h11-12,17H,1-10H2,(H,18,22)
InChIKeyYPLDIILGYJQIHR-UHFFFAOYSA-N
XLogP0.88
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-heptyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3440445
N-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3440443
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3502630
2-(2-aminophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-oxazole-4-carboxamide
CID 3871049
N-cyclopropyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3864461
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 72894736
6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 62233313
N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide
CID 119270399
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63048000
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 176776996
N-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3785757
6-cyclobutyl-4-methyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyran-3-carboxamide
CID 170510918

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (CID 3870656) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide is O=C(NCCCN1CCCC1=O)c1coc(C2CCNCC2)n1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The InChIKey is YPLDIILGYJQIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c21-14-3-1-9-20(14)10-2-6-18-15(22)13-11-23-16(19-13)12-4-7-17-8-5-12/h11-12,17H,1-10H2,(H,18,22).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3870656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).