2-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol

C21H30N2O2 — CID 111613124

IUPAC2-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol
SMILESCC(c1ncc(C(C)(C)C)o1)N1CCCC1CC(O)c1ccccc1
InChIInChI=1S/C21H30N2O2/c1-15(20-22-14-19(25-20)21(2,3)4)23-12-8-11-17(23)13-18(24)16-9-6-5-7-10-16/h5-7,9-10,14-15,17-18,24H,8,11-13H2,1-4H3
InChIKeyCPTQQNNXEQXJKR-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.62
Rot. Bonds5

About 2-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol

2-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol (PubChem CID 111613124) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol
PubChem CID111613124
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name2-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol
SMILESCC(c1ncc(C(C)(C)C)o1)N1CCCC1CC(O)c1ccccc1
InChIInChI=1S/C21H30N2O2/c1-15(20-22-14-19(25-20)21(2,3)4)23-12-8-11-17(23)13-18(24)16-9-6-5-7-10-16/h5-7,9-10,14-15,17-18,24H,8,11-13H2,1-4H3
InChIKeyCPTQQNNXEQXJKR-UHFFFAOYSA-N
XLogP4.62
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol
CID 111490235
1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol
CID 114338177
2-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol
CID 119033917
[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
CID 66261742
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide
CID 111490203
2-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 71869510
[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246
1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546242
(1R)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethanol;hydrochloride
CID 24842687
(2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 125118441
2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]-1-phenylethanol
CID 133491942
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 111490245

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol?
The IUPAC name of 2-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol (CID 111613124) is 2-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol.
What is the SMILES notation for 2-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol?
The canonical SMILES for 2-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol is CC(c1ncc(C(C)(C)C)o1)N1CCCC1CC(O)c1ccccc1.
What is the InChIKey of 2-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol?
The InChIKey is CPTQQNNXEQXJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-15(20-22-14-19(25-20)21(2,3)4)23-12-8-11-17(23)13-18(24)16-9-6-5-7-10-16/h5-7,9-10,14-15,17-18,24H,8,11-13H2,1-4H3.
What are the key properties of 2-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol?
2-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol has a molecular weight of 342.48 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol is sourced from PubChem (CID 111613124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).