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

C18H17FN4O2S — CID 92598782

IUPAC2-(2-fluorophenyl)-1-[(2S)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
SMILESCc1ncsc1-c1nnc([C@@H]2CCCN2C(=O)Cc2ccccc2F)o1
InChIInChI=1S/C18H17FN4O2S/c1-11-16(26-10-20-11)18-22-21-17(25-18)14-7-4-8-23(14)15(24)9-12-5-2-3-6-13(12)19/h2-3,5-6,10,14H,4,7-9H2,1H3/t14-/m0/s1
InChIKeyHHYGMGWPVOSNDD-AWEZNQCLSA-N
MW372.43 g/mol
LogP3.55
Rot. Bonds4

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

2-(2-fluorophenyl)-1-[(2S)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 92598782) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[(2S)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[(2S)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID92598782
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name2-(2-fluorophenyl)-1-[(2S)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
SMILESCc1ncsc1-c1nnc([C@@H]2CCCN2C(=O)Cc2ccccc2F)o1
InChIInChI=1S/C18H17FN4O2S/c1-11-16(26-10-20-11)18-22-21-17(25-18)14-7-4-8-23(14)15(24)9-12-5-2-3-6-13(12)19/h2-3,5-6,10,14H,4,7-9H2,1H3/t14-/m0/s1
InChIKeyHHYGMGWPVOSNDD-AWEZNQCLSA-N
XLogP3.55
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[(2S)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[(2S)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone (CID 92598782) is 2-(2-fluorophenyl)-1-[(2S)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[(2S)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[(2S)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone is Cc1ncsc1-c1nnc([C@@H]2CCCN2C(=O)Cc2ccccc2F)o1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[(2S)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is HHYGMGWPVOSNDD-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-11-16(26-10-20-11)18-22-21-17(25-18)14-7-4-8-23(14)15(24)9-12-5-2-3-6-13(12)19/h2-3,5-6,10,14H,4,7-9H2,1H3/t14-/m0/s1.
What are the key properties of 2-(2-fluorophenyl)-1-[(2S)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[(2S)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 372.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[(2S)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 92598782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).