(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

C17H16N4O2S — CID 129417268

IUPAC(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CC[C@@H](c2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H16N4O2S/c1-11-14(24-10-18-11)17(22)21-8-7-13(9-21)15-19-16(23-20-15)12-5-3-2-4-6-12/h2-6,10,13H,7-9H2,1H3/t13-/m1/s1
InChIKeyMUKSPSMADPFNMC-CYBMUJFWSA-N
MW340.41 g/mol
LogP3.13
Rot. Bonds3

About (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 129417268) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID129417268
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CC[C@@H](c2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H16N4O2S/c1-11-14(24-10-18-11)17(22)21-8-7-13(9-21)15-19-16(23-20-15)12-5-3-2-4-6-12/h2-6,10,13H,7-9H2,1H3/t13-/m1/s1
InChIKeyMUKSPSMADPFNMC-CYBMUJFWSA-N
XLogP3.13
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylthiadiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129417924
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 51503010
[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 129416738
[(3S)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 129418244
N-cyclohexyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 91905560
(1-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019723
N-(2-phenylethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 91905600
3-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1H-1,8-naphthyridin-2-one
CID 119102474
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 129416913
N-[(3R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 167851749
[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124964371
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124964372

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (CID 129417268) is (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is Cc1ncsc1C(=O)N1CC[C@@H](c2noc(-c3ccccc3)n2)C1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is MUKSPSMADPFNMC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-11-14(24-10-18-11)17(22)21-8-7-13(9-21)15-19-16(23-20-15)12-5-3-2-4-6-12/h2-6,10,13H,7-9H2,1H3/t13-/m1/s1.
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 340.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129417268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).