[3-methyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanol

C13H17N3O2S — CID 102789048

IUPAC[3-methyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2noc(-c3ccsc3)n2)C1CO
InChIInChI=1S/C13H17N3O2S/c1-9-2-4-16(11(9)7-17)6-12-14-13(18-15-12)10-3-5-19-8-10/h3,5,8-9,11,17H,2,4,6-7H2,1H3
InChIKeyNACLWHVUYARZBE-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.00
Rot. Bonds4

About [3-methyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanol

[3-methyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 102789048) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is [3-methyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID102789048
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name[3-methyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2noc(-c3ccsc3)n2)C1CO
InChIInChI=1S/C13H17N3O2S/c1-9-2-4-16(11(9)7-17)6-12-14-13(18-15-12)10-3-5-19-8-10/h3,5,8-9,11,17H,2,4,6-7H2,1H3
InChIKeyNACLWHVUYARZBE-UHFFFAOYSA-N
XLogP2.00
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-methyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

methyl (2R)-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate
CID 81470168
[4-ethyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanamine
CID 103353164
[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788969
3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-5-thiophen-3-yl-1,2,4-oxadiazole
CID 115314458
1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 62654121
3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 62273216
(4aS,8aS)-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine
CID 97018585
3-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 66208449
(4aR,8aR)-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 124775386
(3R)-3-phenyl-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one
CID 97236214
3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 112815198
[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788283

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanol (CID 102789048) is [3-methyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanol is CC1CCN(Cc2noc(-c3ccsc3)n2)C1CO.
What is the InChIKey of [3-methyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is NACLWHVUYARZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-2-4-16(11(9)7-17)6-12-14-13(18-15-12)10-3-5-19-8-10/h3,5,8-9,11,17H,2,4,6-7H2,1H3.
What are the key properties of [3-methyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanol?
[3-methyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 279.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102789048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).