N-methyl-4-[1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide

C16H24N4O3 — CID 91921351

IUPACN-methyl-4-[1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)c3ocnc3C)C2)CC1
InChIInChI=1S/C16H24N4O3/c1-11-14(23-10-18-11)15(21)20-8-5-13(9-20)12-3-6-19(7-4-12)16(22)17-2/h10,12-13H,3-9H2,1-2H3,(H,17,22)
InChIKeyUVOPFELXMWTUAF-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.50
Rot. Bonds2

About N-methyl-4-[1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide

N-methyl-4-[1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide (PubChem CID 91921351) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-methyl-4-[1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
PubChem CID91921351
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-methyl-4-[1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)c3ocnc3C)C2)CC1
InChIInChI=1S/C16H24N4O3/c1-11-14(23-10-18-11)15(21)20-8-5-13(9-20)12-3-6-19(7-4-12)16(22)17-2/h10,12-13H,3-9H2,1-2H3,(H,17,22)
InChIKeyUVOPFELXMWTUAF-UHFFFAOYSA-N
XLogP1.50
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-[1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide (CID 91921351) is N-methyl-4-[1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-[1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-[1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide is CNC(=O)N1CCC(C2CCN(C(=O)c3ocnc3C)C2)CC1.
What is the InChIKey of N-methyl-4-[1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The InChIKey is UVOPFELXMWTUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11-14(23-10-18-11)15(21)20-8-5-13(9-20)12-3-6-19(7-4-12)16(22)17-2/h10,12-13H,3-9H2,1-2H3,(H,17,22).
What are the key properties of N-methyl-4-[1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
N-methyl-4-[1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91921351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).