5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole

C13H14FN3O2 — CID 120835468

IUPAC5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc([C@H]2C[C@H](F)CN2)n1
InChIInChI=1S/C13H14FN3O2/c1-18-11-5-3-2-4-9(11)12-16-13(19-17-12)10-6-8(14)7-15-10/h2-5,8,10,15H,6-7H2,1H3/t8-,10+/m0/s1
InChIKeyGWKGMCJKZHQTJT-WCBMZHEXSA-N
MW263.27 g/mol
LogP2.12
Rot. Bonds3

About 5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole

5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 120835468) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID120835468
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc([C@H]2C[C@H](F)CN2)n1
InChIInChI=1S/C13H14FN3O2/c1-18-11-5-3-2-4-9(11)12-16-13(19-17-12)10-6-8(14)7-15-10/h2-5,8,10,15H,6-7H2,1H3/t8-,10+/m0/s1
InChIKeyGWKGMCJKZHQTJT-WCBMZHEXSA-N
XLogP2.12
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4,4-difluoropyrrolidin-2-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 120835482
3-(2-methoxyphenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93093295
5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 129493088
5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 129493089
2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 120835113
5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 129493220
(2R,3S)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine
CID 120955592
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63346269
3-(5-bromofuran-2-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole
CID 120842152
5-(4-fluoropyrrolidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 121199950
3-(2-bromo-5-fluorophenyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 107923521
5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
CID 131223525

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 120835468) is 5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole is COc1ccccc1-c1noc([C@H]2C[C@H](F)CN2)n1.
What is the InChIKey of 5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is GWKGMCJKZHQTJT-WCBMZHEXSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-18-11-5-3-2-4-9(11)12-16-13(19-17-12)10-6-8(14)7-15-10/h2-5,8,10,15H,6-7H2,1H3/t8-,10+/m0/s1.
What are the key properties of 5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 263.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 120835468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).