1-[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol

C17H23N3O2 — CID 110020364

IUPAC1-[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol
SMILESCc1ccccc1Cc1noc(CN2CCC(C(C)O)C2)n1
InChIInChI=1S/C17H23N3O2/c1-12-5-3-4-6-14(12)9-16-18-17(22-19-16)11-20-8-7-15(10-20)13(2)21/h3-6,13,15,21H,7-11H2,1-2H3
InChIKeyIMOYPXNFHULNQX-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.17
Rot. Bonds5

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

1-[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol (PubChem CID 110020364) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol
PubChem CID110020364
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol
SMILESCc1ccccc1Cc1noc(CN2CCC(C(C)O)C2)n1
InChIInChI=1S/C17H23N3O2/c1-12-5-3-4-6-14(12)9-16-18-17(22-19-16)11-20-8-7-15(10-20)13(2)21/h3-6,13,15,21H,7-11H2,1-2H3
InChIKeyIMOYPXNFHULNQX-UHFFFAOYSA-N
XLogP2.17
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110019767
1-[1-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 111114040
1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909685
1-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol
CID 115966853
1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63349292
1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628218
[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
CID 111858339
1-cyclopropyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 55202009
(3R)-1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 63365319
1-[1-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-3-methylbutan-1-one
CID 45201740
1-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 110019975
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol (CID 110020364) is 1-[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol is Cc1ccccc1Cc1noc(CN2CCC(C(C)O)C2)n1.
What is the InChIKey of 1-[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is IMOYPXNFHULNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-5-3-4-6-14(12)9-16-18-17(22-19-16)11-20-8-7-15(10-20)13(2)21/h3-6,13,15,21H,7-11H2,1-2H3.
What are the key properties of 1-[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol?
1-[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 301.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 110020364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).