5-[(2R,4S)-4-methoxy-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole

C14H21N5O4S — CID 128998117

IUPAC5-[(2R,4S)-4-methoxy-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2cnc(C(C)C)[nH]2)C1
InChIInChI=1S/C14H21N5O4S/c1-8(2)13-15-6-12(17-13)24(20,21)19-7-10(22-4)5-11(19)14-16-9(3)18-23-14/h6,8,10-11H,5,7H2,1-4H3,(H,15,17)/t10-,11+/m0/s1
InChIKeyTZZUPYJYJSENIA-WDEREUQCSA-N
MW355.42 g/mol
LogP1.38
Rot. Bonds5

About 5-[(2R,4S)-4-methoxy-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole

5-[(2R,4S)-4-methoxy-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 128998117) has the molecular formula C14H21N5O4S and a molecular weight of 355.42 g/mol. Its IUPAC name is 5-[(2R,4S)-4-methoxy-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R,4S)-4-methoxy-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID128998117
Molecular FormulaC14H21N5O4S
Molecular Weight355.42 g/mol
Exact Mass355.13
IUPAC Name5-[(2R,4S)-4-methoxy-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2cnc(C(C)C)[nH]2)C1
InChIInChI=1S/C14H21N5O4S/c1-8(2)13-15-6-12(17-13)24(20,21)19-7-10(22-4)5-11(19)14-16-9(3)18-23-14/h6,8,10-11H,5,7H2,1-4H3,(H,15,17)/t10-,11+/m0/s1
InChIKeyTZZUPYJYJSENIA-WDEREUQCSA-N
XLogP1.38
TPSA114.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 128973964
5-[(2R,4S)-1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129005401
5-[(2R,4S)-4-methoxy-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129337881
5-[(2R,4S)-1-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129005669
(2S)-1-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 100629190
2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 128965645
5-[(2R,4R)-4-methoxy-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128966405
1-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 128973006
5-[(2R,4R)-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128966068
2-methoxy-1-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 128998715
[4-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 128966490
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129400410

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4S)-4-methoxy-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R,4S)-4-methoxy-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole (CID 128998117) is 5-[(2R,4S)-4-methoxy-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R,4S)-4-methoxy-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R,4S)-4-methoxy-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole is CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2cnc(C(C)C)[nH]2)C1.
What is the InChIKey of 5-[(2R,4S)-4-methoxy-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is TZZUPYJYJSENIA-WDEREUQCSA-N. The full InChI is InChI=1S/C14H21N5O4S/c1-8(2)13-15-6-12(17-13)24(20,21)19-7-10(22-4)5-11(19)14-16-9(3)18-23-14/h6,8,10-11H,5,7H2,1-4H3,(H,15,17)/t10-,11+/m0/s1.
What are the key properties of 5-[(2R,4S)-4-methoxy-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
5-[(2R,4S)-4-methoxy-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 355.42 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4S)-4-methoxy-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 128998117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).