N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide

C16H26N4O2 — CID 3502630

IUPACN-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESCN1CCCC1CCNC(=O)c1coc(C2CCNCC2)n1
InChIInChI=1S/C16H26N4O2/c1-20-10-2-3-13(20)6-9-18-15(21)14-11-22-16(19-14)12-4-7-17-8-5-12/h11-13,17H,2-10H2,1H3,(H,18,21)
InChIKeyONLWYMNWBDLKPJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.36
Rot. Bonds5

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

N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (PubChem CID 3502630) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
PubChem CID3502630
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESCN1CCCC1CCNC(=O)c1coc(C2CCNCC2)n1
InChIInChI=1S/C16H26N4O2/c1-20-10-2-3-13(20)6-9-18-15(21)14-11-22-16(19-14)12-4-7-17-8-5-12/h11-13,17H,2-10H2,1H3,(H,18,21)
InChIKeyONLWYMNWBDLKPJ-UHFFFAOYSA-N
XLogP1.36
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3870656
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-cyclopropyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3864461
N-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3785757
N-[(2,5-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3421206
N-heptan-2-yl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3785755
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 95208087
N-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3857041
N-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846076
2-piperidin-4-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3421131
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (CID 3502630) is N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide is CN1CCCC1CCNC(=O)c1coc(C2CCNCC2)n1.
What is the InChIKey of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The InChIKey is ONLWYMNWBDLKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-20-10-2-3-13(20)6-9-18-15(21)14-11-22-16(19-14)12-4-7-17-8-5-12/h11-13,17H,2-10H2,1H3,(H,18,21).
What are the key properties of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3502630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).