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

C10H16N4O3 — CID 91911141

IUPAC(3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CNC[C@H]1c1nc(COC)no1
InChIInChI=1S/C10H16N4O3/c1-11-9(15)6-3-12-4-7(6)10-13-8(5-16-2)14-17-10/h6-7,12H,3-5H2,1-2H3,(H,11,15)/t6-,7-/m1/s1
InChIKeyUVFOHCRLRRFUEK-RNFRBKRXSA-N
MW240.26 g/mol
LogP-0.74
Rot. Bonds4

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

(3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 91911141) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
PubChem CID91911141
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name(3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CNC[C@H]1c1nc(COC)no1
InChIInChI=1S/C10H16N4O3/c1-11-9(15)6-3-12-4-7(6)10-13-8(5-16-2)14-17-10/h6-7,12H,3-5H2,1-2H3,(H,11,15)/t6-,7-/m1/s1
InChIKeyUVFOHCRLRRFUEK-RNFRBKRXSA-N
XLogP-0.74
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide (CID 91911141) is (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CNC[C@H]1c1nc(COC)no1.
What is the InChIKey of (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is UVFOHCRLRRFUEK-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-11-9(15)6-3-12-4-7(6)10-13-8(5-16-2)14-17-10/h6-7,12H,3-5H2,1-2H3,(H,11,15)/t6-,7-/m1/s1.
What are the key properties of (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide?
(3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 240.26 g/mol, XLogP of -0.74, 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]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 91911141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).