N-(1-cyclopropylethyl)-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

C13H20N4O2 — CID 104970951

IUPACN-(1-cyclopropylethyl)-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C1CC1)N(C)C(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C13H20N4O2/c1-8(9-5-6-9)17(2)13(18)11-15-12(19-16-11)10-4-3-7-14-10/h8-10,14H,3-7H2,1-2H3
InChIKeyOSSRTPQIIKWQRY-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.36
Rot. Bonds4

About N-(1-cyclopropylethyl)-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

N-(1-cyclopropylethyl)-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 104970951) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID104970951
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(1-cyclopropylethyl)-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C1CC1)N(C)C(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C13H20N4O2/c1-8(9-5-6-9)17(2)13(18)11-15-12(19-16-11)10-4-3-7-14-10/h8-10,14H,3-7H2,1-2H3
InChIKeyOSSRTPQIIKWQRY-UHFFFAOYSA-N
XLogP1.36
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-N-ethyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742116
N-[2-(dimethylamino)ethyl]-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742304
N-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970833
N-methyl-N-(2-methylbutan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971122
N-methyl-N-phenyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970698
N-methyl-N-[(2-methylcyclopropyl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742310
N,N-bis(2-hydroxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742170
N-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742553
N-methyl-N-(2-methylsulfonylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970940
N-(2-propan-2-yloxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742533
N-tert-butyl-N-prop-2-enyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742471
N-(1-cyclohexylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970872

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 104970951) is N-(1-cyclopropylethyl)-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is CC(C1CC1)N(C)C(=O)c1noc(C2CCCN2)n1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is OSSRTPQIIKWQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8(9-5-6-9)17(2)13(18)11-15-12(19-16-11)10-4-3-7-14-10/h8-10,14H,3-7H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-(1-cyclopropylethyl)-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 104970951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).