(3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide

C9H14N4O3 — CID 91911133

IUPAC(3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide
SMILESCOCc1noc([C@@H]2CNC[C@H]2C(N)=O)n1
InChIInChI=1S/C9H14N4O3/c1-15-4-7-12-9(16-13-7)6-3-11-2-5(6)8(10)14/h5-6,11H,2-4H2,1H3,(H2,10,14)/t5-,6-/m1/s1
InChIKeyNJGSBUSGYUCYQM-PHDIDXHHSA-N
MW226.24 g/mol
LogP-1.00
Rot. Bonds4

About (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide

(3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide (PubChem CID 91911133) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide
PubChem CID91911133
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name(3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide
SMILESCOCc1noc([C@@H]2CNC[C@H]2C(N)=O)n1
InChIInChI=1S/C9H14N4O3/c1-15-4-7-12-9(16-13-7)6-3-11-2-5(6)8(10)14/h5-6,11H,2-4H2,1H3,(H2,10,14)/t5-,6-/m1/s1
InChIKeyNJGSBUSGYUCYQM-PHDIDXHHSA-N
XLogP-1.00
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide (CID 91911133) is (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide is COCc1noc([C@@H]2CNC[C@H]2C(N)=O)n1.
What is the InChIKey of (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide?
The InChIKey is NJGSBUSGYUCYQM-PHDIDXHHSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-15-4-7-12-9(16-13-7)6-3-11-2-5(6)8(10)14/h5-6,11H,2-4H2,1H3,(H2,10,14)/t5-,6-/m1/s1.
What are the key properties of (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide?
(3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide has a molecular weight of 226.24 g/mol, XLogP of -1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 91911133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).