N-methyl-N-phenyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

C14H16N4O2 — CID 104970698

IUPACN-methyl-N-phenyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCN(C(=O)c1noc(C2CCCN2)n1)c1ccccc1
InChIInChI=1S/C14H16N4O2/c1-18(10-6-3-2-4-7-10)14(19)12-16-13(20-17-12)11-8-5-9-15-11/h2-4,6-7,11,15H,5,8-9H2,1H3
InChIKeyWQRFRWDHWVJERD-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.77
Rot. Bonds3

About N-methyl-N-phenyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

N-methyl-N-phenyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 104970698) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-methyl-N-phenyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID104970698
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-methyl-N-phenyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCN(C(=O)c1noc(C2CCCN2)n1)c1ccccc1
InChIInChI=1S/C14H16N4O2/c1-18(10-6-3-2-4-7-10)14(19)12-16-13(20-17-12)11-8-5-9-15-11/h2-4,6-7,11,15H,5,8-9H2,1H3
InChIKeyWQRFRWDHWVJERD-UHFFFAOYSA-N
XLogP1.77
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-methyl-N-phenyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 104970698) is N-methyl-N-phenyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is CN(C(=O)c1noc(C2CCCN2)n1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is WQRFRWDHWVJERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-18(10-6-3-2-4-7-10)14(19)12-16-13(20-17-12)11-8-5-9-15-11/h2-4,6-7,11,15H,5,8-9H2,1H3.
What are the key properties of N-methyl-N-phenyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-methyl-N-phenyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 104970698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).