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

C19H22FN5O3 — CID 171998286

IUPAC5-[[3-fluoro-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C3(F)CCN(Cc4nc(C(C)C)no4)C3)n2)cc1
InChIInChI=1S/C19H22FN5O3/c1-12(2)16-21-15(27-23-16)10-25-9-8-19(20,11-25)18-22-17(24-28-18)13-4-6-14(26-3)7-5-13/h4-7,12H,8-11H2,1-3H3
InChIKeyCNAPUALCEIHHMZ-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.32
Rot. Bonds6

About 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

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 (PubChem CID 171998286) has the molecular formula C19H22FN5O3 and a molecular weight of 387.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[[3-fluoro-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID171998286
Molecular FormulaC19H22FN5O3
Molecular Weight387.42 g/mol
Exact Mass387.17
IUPAC Name5-[[3-fluoro-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C3(F)CCN(Cc4nc(C(C)C)no4)C3)n2)cc1
InChIInChI=1S/C19H22FN5O3/c1-12(2)16-21-15(27-23-16)10-25-9-8-19(20,11-25)18-22-17(24-28-18)13-4-6-14(26-3)7-5-13/h4-7,12H,8-11H2,1-3H3
InChIKeyCNAPUALCEIHHMZ-UHFFFAOYSA-N
XLogP3.32
TPSA90.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
5-[[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 171992903
[3-fluoro-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 166604531
1-[3-fluoro-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 166600535
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774978
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 119908822
5-methyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,2,4-oxadiazole
CID 47025975
(3R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 78963710
3-(4-methoxyphenyl)-5-[[4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55648707
(1R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-methylbutan-1-ol
CID 25456411
(3R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905454
(2R)-4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine
CID 33026890

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-c2noc(C3(F)CCN(Cc4nc(C(C)C)no4)C3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is CNAPUALCEIHHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O3/c1-12(2)16-21-15(27-23-16)10-25-9-8-19(20,11-25)18-22-17(24-28-18)13-4-6-14(26-3)7-5-13/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 387.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171998286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).