(3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxane-4-carbonyl)pyrrolidine-3-carboxamide

C15H22N4O4 — CID 91923250

IUPAC(3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxane-4-carbonyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1c1nc(C)no1
InChIInChI=1S/C15H22N4O4/c1-9-17-14(23-18-9)12-8-19(7-11(12)13(20)16-2)15(21)10-3-5-22-6-4-10/h10-12H,3-8H2,1-2H3,(H,16,20)/t11-,12-/m1/s1
InChIKeyCGGZIFONPMYXDQ-VXGBXAGGSA-N
MW322.37 g/mol
LogP0.09
Rot. Bonds3

About (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxane-4-carbonyl)pyrrolidine-3-carboxamide

(3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxane-4-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 91923250) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxane-4-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxane-4-carbonyl)pyrrolidine-3-carboxamide
PubChem CID91923250
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name(3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxane-4-carbonyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1c1nc(C)no1
InChIInChI=1S/C15H22N4O4/c1-9-17-14(23-18-9)12-8-19(7-11(12)13(20)16-2)15(21)10-3-5-22-6-4-10/h10-12H,3-8H2,1-2H3,(H,16,20)/t11-,12-/m1/s1
InChIKeyCGGZIFONPMYXDQ-VXGBXAGGSA-N
XLogP0.09
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 124892655
[(3S,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 124892652
[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
CID 97422193
(3S,4S)-1-(2-methoxyacetyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
CID 91923274
(3S,4S)-N-benzyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(oxane-4-carbonylamino)piperidine-1-carboxamide
CID 91915781
(3S,4R)-4-(2-methylphenyl)-1-(oxane-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 70734554
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 136578700
(3S,4S)-1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide
CID 91923288
(3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 91911139
N-[(3S,4R)-4-(4-methylphenyl)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 70751647
(6R)-N-methyl-1'-(oxane-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97385149
[3-(methylamino)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 81468978

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxane-4-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxane-4-carbonyl)pyrrolidine-3-carboxamide (CID 91923250) is (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxane-4-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxane-4-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxane-4-carbonyl)pyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1c1nc(C)no1.
What is the InChIKey of (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxane-4-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is CGGZIFONPMYXDQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-9-17-14(23-18-9)12-8-19(7-11(12)13(20)16-2)15(21)10-3-5-22-6-4-10/h10-12H,3-8H2,1-2H3,(H,16,20)/t11-,12-/m1/s1.
What are the key properties of (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxane-4-carbonyl)pyrrolidine-3-carboxamide?
(3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxane-4-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxane-4-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91923250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).