N,N-bis(2-hydroxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

C11H18N4O4 — CID 102742170

IUPACN,N-bis(2-hydroxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(c1noc(C2CCCN2)n1)N(CCO)CCO
InChIInChI=1S/C11H18N4O4/c16-6-4-15(5-7-17)11(18)9-13-10(19-14-9)8-2-1-3-12-8/h8,12,16-17H,1-7H2
InChIKeyITBSORRQSZHODJ-UHFFFAOYSA-N
MW270.29 g/mol
LogP-1.08
Rot. Bonds6

About N,N-bis(2-hydroxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

N,N-bis(2-hydroxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102742170) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102742170
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC NameN,N-bis(2-hydroxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(c1noc(C2CCCN2)n1)N(CCO)CCO
InChIInChI=1S/C11H18N4O4/c16-6-4-15(5-7-17)11(18)9-13-10(19-14-9)8-2-1-3-12-8/h8,12,16-17H,1-7H2
InChIKeyITBSORRQSZHODJ-UHFFFAOYSA-N
XLogP-1.08
TPSA111.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N,N-bis(2-hydroxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)ethyl]-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742304
N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742398
N-methyl-N-(2-methylsulfonylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970940
N-cyclopropyl-N-(2-methoxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970930
N-tert-butyl-N-prop-2-enyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742471
N-butan-2-yl-N-ethyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742116
N-methyl-N-(2-methylbutan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971122
N-methyl-N-[(2-methylcyclopropyl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742310
N-(1-cyclopropylethyl)-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970951
N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775
N-methyl-N-phenyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970698
(2S)-4-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 107824867

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 102742170) is N,N-bis(2-hydroxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is O=C(c1noc(C2CCCN2)n1)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is ITBSORRQSZHODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c16-6-4-15(5-7-17)11(18)9-13-10(19-14-9)8-2-1-3-12-8/h8,12,16-17H,1-7H2.
What are the key properties of N,N-bis(2-hydroxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N,N-bis(2-hydroxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 270.29 g/mol, XLogP of -1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102742170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).