(2R)-1-[(2S,4R)-2-(1,1-dioxo-2,5-dihydro-1,2,4-thiadiazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one

C15H22N4O5S — CID 142572816

IUPAC(2R)-1-[(2S,4R)-2-(1,1-dioxo-2,5-dihydro-1,2,4-thiadiazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
SMILESCc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C2=NCS(=O)(=O)N2)C(C)C)on1
InChIInChI=1S/C15H22N4O5S/c1-8(2)13(12-4-9(3)17-24-12)15(21)19-6-10(20)5-11(19)14-16-7-25(22,23)18-14/h4,8,10-11,13,20H,5-7H2,1-3H3,(H,16,18)/t10-,11+,13-/m1/s1
InChIKeyICHGUTYOUFXFKE-NTZNESFSSA-N
MW370.43 g/mol
LogP-0.03
Rot. Bonds4

About (2R)-1-[(2S,4R)-2-(1,1-dioxo-2,5-dihydro-1,2,4-thiadiazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one

(2R)-1-[(2S,4R)-2-(1,1-dioxo-2,5-dihydro-1,2,4-thiadiazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one (PubChem CID 142572816) has the molecular formula C15H22N4O5S and a molecular weight of 370.43 g/mol. Its IUPAC name is (2R)-1-[(2S,4R)-2-(1,1-dioxo-2,5-dihydro-1,2,4-thiadiazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2S,4R)-2-(1,1-dioxo-2,5-dihydro-1,2,4-thiadiazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
PubChem CID142572816
Molecular FormulaC15H22N4O5S
Molecular Weight370.43 g/mol
Exact Mass370.13
IUPAC Name(2R)-1-[(2S,4R)-2-(1,1-dioxo-2,5-dihydro-1,2,4-thiadiazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
SMILESCc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C2=NCS(=O)(=O)N2)C(C)C)on1
InChIInChI=1S/C15H22N4O5S/c1-8(2)13(12-4-9(3)17-24-12)15(21)19-6-10(20)5-11(19)14-16-7-25(22,23)18-14/h4,8,10-11,13,20H,5-7H2,1-3H3,(H,16,18)/t10-,11+,13-/m1/s1
InChIKeyICHGUTYOUFXFKE-NTZNESFSSA-N
XLogP-0.03
TPSA125.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-1-[(2S,4R)-2-(1,1-dioxo-2,5-dihydro-1,2,4-thiadiazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one with MolForge

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Related Compounds

2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-1H-imidazol-5-one
CID 142572551
2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-1H-imidazol-5-one
CID 166771200
1-[(2S,4R)-4-hydroxy-2-(1-oxa-2,4-diazaspiro[4.4]non-3-en-3-yl)pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 166771169
1-[(2S,4R)-2-(5,6-dihydro-2H-1,2,4-benzoxadiazocin-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 166968408
1-[2-(3,3-dimethyl-2-phenyl-1H-1,2,4-triazol-5-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 142572721
(2R)-1-[(2S,4R)-4-hydroxy-2-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 160582256
(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 170386411
1-[2-[5-[4-(2-fluorophenyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;1-[(2S,4R)-4-hydroxy-2-(1-methylidene-1-oxo-2,5-dihydro-1,2,4-thiadiazol-3-yl)pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-(1-methylidene-1-oxo-2,5-dihydro-1,2,4-thiadiazol-3-yl)pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-(1-methylidene-1-oxo-2,5-dihydro-1,2,4-thiadiazol-3-yl)pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2R,4R)-4-hydroxy-2-(1,1,5,5-tetramethyl-4H-pyrazol-1-ium-3-yl)pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 159587033
(2R)-1-[(2S,4R)-4-hydroxy-2-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,5'-2H-1,2,4-oxadiazole]-3'-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 142572607
1-[2-[5-[4-(2-fluorophenyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;1-[(2S,4R)-4-hydroxy-2-(1-methylidene-1-oxo-2,5-dihydro-1,2,4-thiadiazol-3-yl)pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-(1-methylidene-1-oxo-2,5-dihydro-1,2,4-thiadiazol-3-yl)pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-(1-methylidene-1-oxo-2,5-dihydro-1,2,4-thiadiazol-3-yl)pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2R,4R)-4-hydroxy-2-(4,4,5,5-tetramethyl-3H-pyrrol-2-yl)pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 163415183
(4S)-4-[4-(2-fluorophenyl)phenyl]-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-1H-imidazol-5-one
CID 142572338
2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-1H-imidazol-5-one
CID 142572787

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S,4R)-2-(1,1-dioxo-2,5-dihydro-1,2,4-thiadiazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one?
The IUPAC name of (2R)-1-[(2S,4R)-2-(1,1-dioxo-2,5-dihydro-1,2,4-thiadiazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one (CID 142572816) is (2R)-1-[(2S,4R)-2-(1,1-dioxo-2,5-dihydro-1,2,4-thiadiazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one.
What is the SMILES notation for (2R)-1-[(2S,4R)-2-(1,1-dioxo-2,5-dihydro-1,2,4-thiadiazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one?
The canonical SMILES for (2R)-1-[(2S,4R)-2-(1,1-dioxo-2,5-dihydro-1,2,4-thiadiazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one is Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C2=NCS(=O)(=O)N2)C(C)C)on1.
What is the InChIKey of (2R)-1-[(2S,4R)-2-(1,1-dioxo-2,5-dihydro-1,2,4-thiadiazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one?
The InChIKey is ICHGUTYOUFXFKE-NTZNESFSSA-N. The full InChI is InChI=1S/C15H22N4O5S/c1-8(2)13(12-4-9(3)17-24-12)15(21)19-6-10(20)5-11(19)14-16-7-25(22,23)18-14/h4,8,10-11,13,20H,5-7H2,1-3H3,(H,16,18)/t10-,11+,13-/m1/s1.
What are the key properties of (2R)-1-[(2S,4R)-2-(1,1-dioxo-2,5-dihydro-1,2,4-thiadiazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one?
(2R)-1-[(2S,4R)-2-(1,1-dioxo-2,5-dihydro-1,2,4-thiadiazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one has a molecular weight of 370.43 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S,4R)-2-(1,1-dioxo-2,5-dihydro-1,2,4-thiadiazol-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one is sourced from PubChem (CID 142572816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).