2-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-5-propyl-1,3,4-oxadiazole

C15H18FN3O — CID 97192725

IUPAC2-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(N2CC[C@@H](c3ccc(F)cc3)C2)o1
InChIInChI=1S/C15H18FN3O/c1-2-3-14-17-18-15(20-14)19-9-8-12(10-19)11-4-6-13(16)7-5-11/h4-7,12H,2-3,8-10H2,1H3/t12-/m1/s1
InChIKeyYLNAOBQEBAXRRO-GFCCVEGCSA-N
MW275.33 g/mol
LogP3.16
Rot. Bonds4

About 2-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-5-propyl-1,3,4-oxadiazole

2-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-5-propyl-1,3,4-oxadiazole (PubChem CID 97192725) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-5-propyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-5-propyl-1,3,4-oxadiazole
PubChem CID97192725
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(N2CC[C@@H](c3ccc(F)cc3)C2)o1
InChIInChI=1S/C15H18FN3O/c1-2-3-14-17-18-15(20-14)19-9-8-12(10-19)11-4-6-13(16)7-5-11/h4-7,12H,2-3,8-10H2,1H3/t12-/m1/s1
InChIKeyYLNAOBQEBAXRRO-GFCCVEGCSA-N
XLogP3.16
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-5-propyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-5-propyl-1,3,4-oxadiazole (CID 97192725) is 2-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-5-propyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-5-propyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-5-propyl-1,3,4-oxadiazole is CCCc1nnc(N2CC[C@@H](c3ccc(F)cc3)C2)o1.
What is the InChIKey of 2-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-5-propyl-1,3,4-oxadiazole?
The InChIKey is YLNAOBQEBAXRRO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-2-3-14-17-18-15(20-14)19-9-8-12(10-19)11-4-6-13(16)7-5-11/h4-7,12H,2-3,8-10H2,1H3/t12-/m1/s1.
What are the key properties of 2-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-5-propyl-1,3,4-oxadiazole?
2-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-5-propyl-1,3,4-oxadiazole has a molecular weight of 275.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-5-propyl-1,3,4-oxadiazole is sourced from PubChem (CID 97192725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).