2-[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol

C19H25N3O2 — CID 111490235

IUPAC2-[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol
SMILESCC(c1nc(C2CC2)no1)N1CCCC1CC(O)c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-13(19-20-18(21-24-19)15-9-10-15)22-11-5-8-16(22)12-17(23)14-6-3-2-4-7-14/h2-4,6-7,13,15-17,23H,5,8-12H2,1H3
InChIKeyUPRLDTFOAWSWHJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.60
Rot. Bonds6

About 2-[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol

2-[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol (PubChem CID 111490235) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol
PubChem CID111490235
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol
SMILESCC(c1nc(C2CC2)no1)N1CCCC1CC(O)c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-13(19-20-18(21-24-19)15-9-10-15)22-11-5-8-16(22)12-17(23)14-6-3-2-4-7-14/h2-4,6-7,13,15-17,23H,5,8-12H2,1H3
InChIKeyUPRLDTFOAWSWHJ-UHFFFAOYSA-N
XLogP3.60
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol
CID 111613124
3-cyclopropyl-5-[(1S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95342388
3-cyclopropyl-5-[(1R)-1-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95308416
2-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol
CID 119033917
1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol
CID 114338177
3-cyclopropyl-5-[(1S)-1-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95609984
3-cyclopropyl-5-[(1R)-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 129461569
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide
CID 111490203
[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
CID 66261742
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride
CID 119948094
(1R)-2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95309336
2-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol
CID 47053061

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol?
The IUPAC name of 2-[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol (CID 111490235) is 2-[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol.
What is the SMILES notation for 2-[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol?
The canonical SMILES for 2-[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol is CC(c1nc(C2CC2)no1)N1CCCC1CC(O)c1ccccc1.
What is the InChIKey of 2-[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol?
The InChIKey is UPRLDTFOAWSWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13(19-20-18(21-24-19)15-9-10-15)22-11-5-8-16(22)12-17(23)14-6-3-2-4-7-14/h2-4,6-7,13,15-17,23H,5,8-12H2,1H3.
What are the key properties of 2-[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol?
2-[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol has a molecular weight of 327.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol is sourced from PubChem (CID 111490235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).