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

C13H20N4O5 — CID 91923274

IUPAC(3S,4S)-1-(2-methoxyacetyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)COC)C[C@H]1c1nc(COC)no1
InChIInChI=1S/C13H20N4O5/c1-14-12(19)8-4-17(11(18)7-21-3)5-9(8)13-15-10(6-20-2)16-22-13/h8-9H,4-7H2,1-3H3,(H,14,19)/t8-,9-/m1/s1
InChIKeyHMGVTOYFWWHDID-RKDXNWHRSA-N
MW312.33 g/mol
LogP-0.85
Rot. Bonds6

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

(3S,4S)-1-(2-methoxyacetyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 91923274) has the molecular formula C13H20N4O5 and a molecular weight of 312.33 g/mol. Its IUPAC name is (3S,4S)-1-(2-methoxyacetyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-(2-methoxyacetyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
PubChem CID91923274
Molecular FormulaC13H20N4O5
Molecular Weight312.33 g/mol
Exact Mass312.14
IUPAC Name(3S,4S)-1-(2-methoxyacetyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)COC)C[C@H]1c1nc(COC)no1
InChIInChI=1S/C13H20N4O5/c1-14-12(19)8-4-17(11(18)7-21-3)5-9(8)13-15-10(6-20-2)16-22-13/h8-9H,4-7H2,1-3H3,(H,14,19)/t8-,9-/m1/s1
InChIKeyHMGVTOYFWWHDID-RKDXNWHRSA-N
XLogP-0.85
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
CID 156611375
(3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 91911139
(3S,4S)-1-(1,3-benzodioxole-5-carbonyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
CID 91923276
(3S,4S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
CID 91911142
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
CID 156611340
1-[2-(2-chloro-6-fluorophenyl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide
CID 156611304
(3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxane-4-carbonyl)pyrrolidine-3-carboxamide
CID 91923250
(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide
CID 91923307
2-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 53192022
2-ethoxy-1-[(2R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 95110664
3-(methoxymethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63720553
5-[(1S)-2,2-dimethylcyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 130666816

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(2-methoxyacetyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-(2-methoxyacetyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide (CID 91923274) is (3S,4S)-1-(2-methoxyacetyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-(2-methoxyacetyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-(2-methoxyacetyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CN(C(=O)COC)C[C@H]1c1nc(COC)no1.
What is the InChIKey of (3S,4S)-1-(2-methoxyacetyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is HMGVTOYFWWHDID-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H20N4O5/c1-14-12(19)8-4-17(11(18)7-21-3)5-9(8)13-15-10(6-20-2)16-22-13/h8-9H,4-7H2,1-3H3,(H,14,19)/t8-,9-/m1/s1.
What are the key properties of (3S,4S)-1-(2-methoxyacetyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide?
(3S,4S)-1-(2-methoxyacetyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 312.33 g/mol, XLogP of -0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(2-methoxyacetyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 91923274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).