(2-tert-butyl-1,3-thiazol-5-yl)-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

C15H20N4O3S — CID 128997575

IUPAC(2-tert-butyl-1,3-thiazol-5-yl)-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1noc([C@H]2C[C@H](O)CN2C(=O)c2cnc(C(C)(C)C)s2)n1
InChIInChI=1S/C15H20N4O3S/c1-8-17-12(22-18-8)10-5-9(20)7-19(10)13(21)11-6-16-14(23-11)15(2,3)4/h6,9-10,20H,5,7H2,1-4H3/t9-,10+/m0/s1
InChIKeyIYHQTRFPMBKWFM-VHSXEESVSA-N
MW336.42 g/mol
LogP2.08
Rot. Bonds2

About (2-tert-butyl-1,3-thiazol-5-yl)-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

(2-tert-butyl-1,3-thiazol-5-yl)-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 128997575) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is (2-tert-butyl-1,3-thiazol-5-yl)-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-tert-butyl-1,3-thiazol-5-yl)-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID128997575
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name(2-tert-butyl-1,3-thiazol-5-yl)-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1noc([C@H]2C[C@H](O)CN2C(=O)c2cnc(C(C)(C)C)s2)n1
InChIInChI=1S/C15H20N4O3S/c1-8-17-12(22-18-8)10-5-9(20)7-19(10)13(21)11-6-16-14(23-11)15(2,3)4/h6,9-10,20H,5,7H2,1-4H3/t9-,10+/m0/s1
InChIKeyIYHQTRFPMBKWFM-VHSXEESVSA-N
XLogP2.08
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzothiophen-3-yl-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129004452
(3-chloro-5-fluorophenyl)-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 128967890
(2S)-2-cyclopropyl-1-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 129473001
1-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 129344895
(2R,4R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 129005977
[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone
CID 129327024
7-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 127956507
[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]methanone
CID 129325718
1-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-indol-1-ylethanone
CID 129004432
(2R,4S)-4-hydroxy-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 128998784
(E)-1-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-(4-methylphenyl)but-3-en-1-one
CID 128966039
6-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-2-(2-methylpropyl)-4,5-dihydropyridazin-3-one
CID 129002984

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1,3-thiazol-5-yl)-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-tert-butyl-1,3-thiazol-5-yl)-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 128997575) is (2-tert-butyl-1,3-thiazol-5-yl)-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-tert-butyl-1,3-thiazol-5-yl)-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-tert-butyl-1,3-thiazol-5-yl)-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is Cc1noc([C@H]2C[C@H](O)CN2C(=O)c2cnc(C(C)(C)C)s2)n1.
What is the InChIKey of (2-tert-butyl-1,3-thiazol-5-yl)-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is IYHQTRFPMBKWFM-VHSXEESVSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-8-17-12(22-18-8)10-5-9(20)7-19(10)13(21)11-6-16-14(23-11)15(2,3)4/h6,9-10,20H,5,7H2,1-4H3/t9-,10+/m0/s1.
What are the key properties of (2-tert-butyl-1,3-thiazol-5-yl)-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
(2-tert-butyl-1,3-thiazol-5-yl)-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 336.42 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1,3-thiazol-5-yl)-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 128997575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).