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

C17H16FN3OS — CID 51137666

IUPAC2-(2-fluorophenyl)-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc([C@H]2CCN(Cc3cccs3)C2)o1
InChIInChI=1S/C17H16FN3OS/c18-15-6-2-1-5-14(15)17-20-19-16(22-17)12-7-8-21(10-12)11-13-4-3-9-23-13/h1-6,9,12H,7-8,10-11H2/t12-/m0/s1
InChIKeyRMXZAHBSASFDFV-LBPRGKRZSA-N
MW329.40 g/mol
LogP3.93
Rot. Bonds4

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

2-(2-fluorophenyl)-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole (PubChem CID 51137666) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
PubChem CID51137666
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC Name2-(2-fluorophenyl)-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc([C@H]2CCN(Cc3cccs3)C2)o1
InChIInChI=1S/C17H16FN3OS/c18-15-6-2-1-5-14(15)17-20-19-16(22-17)12-7-8-21(10-12)11-13-4-3-9-23-13/h1-6,9,12H,7-8,10-11H2/t12-/m0/s1
InChIKeyRMXZAHBSASFDFV-LBPRGKRZSA-N
XLogP3.93
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615658
2-(2-fluorophenyl)-5-[(3S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137659
2-benzyl-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137403
2-(1-cyclohexylpyrrolidin-3-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 75615647
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbaldehyde
CID 132649682
cyclopropyl-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615760
1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 132650199
3-(2-methylphenyl)-5-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 127244653
2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 110235552
2-(2-methoxyphenyl)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615471
1-[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 99963248
1-[(3R)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 99963593

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-fluorophenyl)-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole (CID 51137666) is 2-(2-fluorophenyl)-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-fluorophenyl)-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-fluorophenyl)-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole is Fc1ccccc1-c1nnc([C@H]2CCN(Cc3cccs3)C2)o1.
What is the InChIKey of 2-(2-fluorophenyl)-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is RMXZAHBSASFDFV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16FN3OS/c18-15-6-2-1-5-14(15)17-20-19-16(22-17)12-7-8-21(10-12)11-13-4-3-9-23-13/h1-6,9,12H,7-8,10-11H2/t12-/m0/s1.
What are the key properties of 2-(2-fluorophenyl)-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
2-(2-fluorophenyl)-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 329.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 51137666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).