N-methyl-3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-1-carboxamide

C14H22N4O3 — CID 110196110

IUPACN-methyl-3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC(Cc2noc(C3CCOCC3)n2)C1
InChIInChI=1S/C14H22N4O3/c1-15-14(19)18-5-2-10(9-18)8-12-16-13(21-17-12)11-3-6-20-7-4-11/h10-11H,2-9H2,1H3,(H,15,19)
InChIKeyYWYGAXKJJVGHMM-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.17
Rot. Bonds3

About N-methyl-3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-1-carboxamide

N-methyl-3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 110196110) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-methyl-3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID110196110
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC NameN-methyl-3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC(Cc2noc(C3CCOCC3)n2)C1
InChIInChI=1S/C14H22N4O3/c1-15-14(19)18-5-2-10(9-18)8-12-16-13(21-17-12)11-3-6-20-7-4-11/h10-11H,2-9H2,1H3,(H,15,19)
InChIKeyYWYGAXKJJVGHMM-UHFFFAOYSA-N
XLogP1.17
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-methyl-3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-1-carboxamide (CID 110196110) is N-methyl-3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-methyl-3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-methyl-3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-1-carboxamide is CNC(=O)N1CCC(Cc2noc(C3CCOCC3)n2)C1.
What is the InChIKey of N-methyl-3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is YWYGAXKJJVGHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-15-14(19)18-5-2-10(9-18)8-12-16-13(21-17-12)11-3-6-20-7-4-11/h10-11H,2-9H2,1H3,(H,15,19).
What are the key properties of N-methyl-3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-1-carboxamide?
N-methyl-3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 110196110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).