5-[[3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole

C16H15F2N5O2 — CID 171998091

IUPAC5-[[3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CN2CCC(F)(c3nc(-c4ccc(F)cc4)no3)C2)n1
InChIInChI=1S/C16H15F2N5O2/c1-10-19-13(24-21-10)8-23-7-6-16(18,9-23)15-20-14(22-25-15)11-2-4-12(17)5-3-11/h2-5H,6-9H2,1H3
InChIKeyMAABMQSDRVGNPG-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.64
Rot. Bonds4

About 5-[[3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole

5-[[3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 171998091) has the molecular formula C16H15F2N5O2 and a molecular weight of 347.33 g/mol. Its IUPAC name is 5-[[3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
PubChem CID171998091
Molecular FormulaC16H15F2N5O2
Molecular Weight347.33 g/mol
Exact Mass347.12
IUPAC Name5-[[3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CN2CCC(F)(c3nc(-c4ccc(F)cc4)no3)C2)n1
InChIInChI=1S/C16H15F2N5O2/c1-10-19-13(24-21-10)8-23-7-6-16(18,9-23)15-20-14(22-25-15)11-2-4-12(17)5-3-11/h2-5H,6-9H2,1H3
InChIKeyMAABMQSDRVGNPG-UHFFFAOYSA-N
XLogP2.64
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[3-fluoro-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 171998286
[3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 166604523
3-(4-fluorophenyl)-5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 30728444
(2S,6R)-4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine
CID 26493802
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 119908266
5-[(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 164633304
3-(4-fluorophenyl)-5-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95110579
[1-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 126803762
5-[[4-[2-(4-fluorophenyl)propyl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 86804175
1-[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethanamine
CID 119920805
2-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 45281557
1-[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263934

Frequently Asked Questions

What is the IUPAC name of 5-[[3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole (CID 171998091) is 5-[[3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(CN2CCC(F)(c3nc(-c4ccc(F)cc4)no3)C2)n1.
What is the InChIKey of 5-[[3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is MAABMQSDRVGNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O2/c1-10-19-13(24-21-10)8-23-7-6-16(18,9-23)15-20-14(22-25-15)11-2-4-12(17)5-3-11/h2-5H,6-9H2,1H3.
What are the key properties of 5-[[3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
5-[[3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 347.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 171998091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).