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

C12H20FN3O2 — CID 171992903

IUPAC5-[[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOCC1(F)CCN(Cc2nc(C(C)C)no2)C1
InChIInChI=1S/C12H20FN3O2/c1-9(2)11-14-10(18-15-11)6-16-5-4-12(13,7-16)8-17-3/h9H,4-8H2,1-3H3
InChIKeyRCCOEESSMRAMHT-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.75
Rot. Bonds5

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

5-[[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 171992903) has the molecular formula C12H20FN3O2 and a molecular weight of 257.31 g/mol. Its IUPAC name is 5-[[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID171992903
Molecular FormulaC12H20FN3O2
Molecular Weight257.31 g/mol
Exact Mass257.15
IUPAC Name5-[[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOCC1(F)CCN(Cc2nc(C(C)C)no2)C1
InChIInChI=1S/C12H20FN3O2/c1-9(2)11-14-10(18-15-11)6-16-5-4-12(13,7-16)8-17-3/h9H,4-8H2,1-3H3
InChIKeyRCCOEESSMRAMHT-UHFFFAOYSA-N
XLogP1.75
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43556709
4-[(4aR,6R,8aS)-8a-(methoxymethyl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4,4a,5,6,7,8-octahydroisoquinolin-6-yl]morpholine
CID 72921235
5-[[4-(difluoromethyl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 166603058
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60719354
(6R)-6-(methoxymethyl)-2,2-dimethyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 129345533
5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 102850060
(6R)-10-(2-methoxyethyl)-1-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98841921
(4,4-difluoropiperidin-1-yl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanone
CID 166600665
2-ethyl-9-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70747573
3-fluoro-3-(methoxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 171998234
tert-butyl 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepane-1-carboxylate
CID 171130204

Frequently Asked Questions

What is the IUPAC name of 5-[[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 171992903) is 5-[[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole is COCC1(F)CCN(Cc2nc(C(C)C)no2)C1.
What is the InChIKey of 5-[[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is RCCOEESSMRAMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O2/c1-9(2)11-14-10(18-15-11)6-16-5-4-12(13,7-16)8-17-3/h9H,4-8H2,1-3H3.
What are the key properties of 5-[[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 257.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 171992903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).