3-(3-fluorophenoxy)-1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one

C19H18FN3O3S — CID 92568899

IUPAC3-(3-fluorophenoxy)-1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCOc1cccc(F)c1)N1CCC[C@@H]1c1nnc(-c2ccsc2)o1
InChIInChI=1S/C19H18FN3O3S/c20-14-3-1-4-15(11-14)25-9-6-17(24)23-8-2-5-16(23)19-22-21-18(26-19)13-7-10-27-12-13/h1,3-4,7,10-12,16H,2,5-6,8-9H2/t16-/m1/s1
InChIKeyVIQGKWTWUANSSC-MRXNPFEDSA-N
MW387.44 g/mol
LogP4.07
Rot. Bonds6

About 3-(3-fluorophenoxy)-1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one

3-(3-fluorophenoxy)-1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 92568899) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID92568899
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name3-(3-fluorophenoxy)-1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCOc1cccc(F)c1)N1CCC[C@@H]1c1nnc(-c2ccsc2)o1
InChIInChI=1S/C19H18FN3O3S/c20-14-3-1-4-15(11-14)25-9-6-17(24)23-8-2-5-16(23)19-22-21-18(26-19)13-7-10-27-12-13/h1,3-4,7,10-12,16H,2,5-6,8-9H2/t16-/m1/s1
InChIKeyVIQGKWTWUANSSC-MRXNPFEDSA-N
XLogP4.07
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 92552698
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3-[2-oxo-2-[2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
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CID 124967242

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(3-fluorophenoxy)-1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one (CID 92568899) is 3-(3-fluorophenoxy)-1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-fluorophenoxy)-1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-fluorophenoxy)-1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one is O=C(CCOc1cccc(F)c1)N1CCC[C@@H]1c1nnc(-c2ccsc2)o1.
What is the InChIKey of 3-(3-fluorophenoxy)-1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is VIQGKWTWUANSSC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c20-14-3-1-4-15(11-14)25-9-6-17(24)23-8-2-5-16(23)19-22-21-18(26-19)13-7-10-27-12-13/h1,3-4,7,10-12,16H,2,5-6,8-9H2/t16-/m1/s1.
What are the key properties of 3-(3-fluorophenoxy)-1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one?
3-(3-fluorophenoxy)-1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 387.44 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 92568899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).