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

C17H15FN4O2S — CID 92598801

IUPAC(2-fluorophenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1ncsc1-c1nnc([C@H]2CCCN2C(=O)c2ccccc2F)o1
InChIInChI=1S/C17H15FN4O2S/c1-10-14(25-9-19-10)16-21-20-15(24-16)13-7-4-8-22(13)17(23)11-5-2-3-6-12(11)18/h2-3,5-6,9,13H,4,7-8H2,1H3/t13-/m1/s1
InChIKeyGSVBDYABOCZFMY-CYBMUJFWSA-N
MW358.40 g/mol
LogP3.62
Rot. Bonds3

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

(2-fluorophenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 92598801) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is (2-fluorophenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
PubChem CID92598801
Molecular FormulaC17H15FN4O2S
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC Name(2-fluorophenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1ncsc1-c1nnc([C@H]2CCCN2C(=O)c2ccccc2F)o1
InChIInChI=1S/C17H15FN4O2S/c1-10-14(25-9-19-10)16-21-20-15(24-16)13-7-4-8-22(13)17(23)11-5-2-3-6-12(11)18/h2-3,5-6,9,13H,4,7-8H2,1H3/t13-/m1/s1
InChIKeyGSVBDYABOCZFMY-CYBMUJFWSA-N
XLogP3.62
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylphenyl)-1-[2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
CID 110217600
2-(4-fluorophenyl)-1-[(2S)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92598778
2-(3-methylphenyl)-1-[(2S)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92560668
2-(3-methylphenyl)-1-[2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
CID 110217599
[2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone
CID 110217501
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 53009589
(2-methoxyphenyl)-[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 92598886
2-(1-cyclohexylsulfonylpyrrolidin-2-yl)-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 110217624
(2-methylsulfanyl-3-pyridinyl)-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 68614206
(2-chloro-4-pyridinyl)-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 87516317
(2-fluorophenyl)-[(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 92956297
2-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 92598727

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone (CID 92598801) is (2-fluorophenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone is Cc1ncsc1-c1nnc([C@H]2CCCN2C(=O)c2ccccc2F)o1.
What is the InChIKey of (2-fluorophenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is GSVBDYABOCZFMY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H15FN4O2S/c1-10-14(25-9-19-10)16-21-20-15(24-16)13-7-4-8-22(13)17(23)11-5-2-3-6-12(11)18/h2-3,5-6,9,13H,4,7-8H2,1H3/t13-/m1/s1.
What are the key properties of (2-fluorophenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
(2-fluorophenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 358.40 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92598801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).