N-ethyl-5-(4-hydroxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxamide

C9H14N4O3 — CID 102791161

IUPACN-ethyl-5-(4-hydroxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(C2CC(O)CN2)n1
InChIInChI=1S/C9H14N4O3/c1-2-10-8(15)7-12-9(16-13-7)6-3-5(14)4-11-6/h5-6,11,14H,2-4H2,1H3,(H,10,15)
InChIKeyASLZDLOWAKSHPK-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.79
Rot. Bonds3

About N-ethyl-5-(4-hydroxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxamide

N-ethyl-5-(4-hydroxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102791161) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is N-ethyl-5-(4-hydroxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(4-hydroxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID102791161
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC NameN-ethyl-5-(4-hydroxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(C2CC(O)CN2)n1
InChIInChI=1S/C9H14N4O3/c1-2-10-8(15)7-12-9(16-13-7)6-3-5(14)4-11-6/h5-6,11,14H,2-4H2,1H3,(H,10,15)
InChIKeyASLZDLOWAKSHPK-UHFFFAOYSA-N
XLogP-0.79
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-ethyl-5-(4-hydroxypyrrolidin-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

5-[(2R,4S)-4-hydroxypyrrolidin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 106812946
N-ethyl-5-(5-oxopiperazin-2-yl)-1,2,4-oxadiazole-3-carboxamide
CID 107436807
5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 86276587
5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114351002
(3R,5S)-5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911494
(5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911085
N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775
(3R,5S)-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911217
(5S)-5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911379
(3R,5R)-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912140
5-(2-aminocyclopentyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791399
(5S)-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911066

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-hydroxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-ethyl-5-(4-hydroxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxamide (CID 102791161) is N-ethyl-5-(4-hydroxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-(4-hydroxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-(4-hydroxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxamide is CCNC(=O)c1noc(C2CC(O)CN2)n1.
What is the InChIKey of N-ethyl-5-(4-hydroxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is ASLZDLOWAKSHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-2-10-8(15)7-12-9(16-13-7)6-3-5(14)4-11-6/h5-6,11,14H,2-4H2,1H3,(H,10,15).
What are the key properties of N-ethyl-5-(4-hydroxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxamide?
N-ethyl-5-(4-hydroxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 226.24 g/mol, XLogP of -0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-hydroxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102791161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).