(1S,2S)-1-(3-phenyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylbutan-1-ol

C17H22N2O2 — CID 139648109

IUPAC(1S,2S)-1-(3-phenyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylbutan-1-ol
SMILESCC[C@@H]([C@H](O)c1cc(-c2ccccc2)no1)N1CCCC1
InChIInChI=1S/C17H22N2O2/c1-2-15(19-10-6-7-11-19)17(20)16-12-14(18-21-16)13-8-4-3-5-9-13/h3-5,8-9,12,15,17,20H,2,6-7,10-11H2,1H3/t15-,17-/m0/s1
InChIKeyJMVXOEHMFDZBLN-RDJZCZTQSA-N
MW286.38 g/mol
LogP3.25
Rot. Bonds5

About (1S,2S)-1-(3-phenyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylbutan-1-ol

(1S,2S)-1-(3-phenyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylbutan-1-ol (PubChem CID 139648109) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (1S,2S)-1-(3-phenyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name(1S,2S)-1-(3-phenyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylbutan-1-ol
PubChem CID139648109
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(1S,2S)-1-(3-phenyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylbutan-1-ol
SMILESCC[C@@H]([C@H](O)c1cc(-c2ccccc2)no1)N1CCCC1
InChIInChI=1S/C17H22N2O2/c1-2-15(19-10-6-7-11-19)17(20)16-12-14(18-21-16)13-8-4-3-5-9-13/h3-5,8-9,12,15,17,20H,2,6-7,10-11H2,1H3/t15-,17-/m0/s1
InChIKeyJMVXOEHMFDZBLN-RDJZCZTQSA-N
XLogP3.25
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(3-phenyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylbutan-1-ol?
The IUPAC name of (1S,2S)-1-(3-phenyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylbutan-1-ol (CID 139648109) is (1S,2S)-1-(3-phenyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylbutan-1-ol.
What is the SMILES notation for (1S,2S)-1-(3-phenyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylbutan-1-ol?
The canonical SMILES for (1S,2S)-1-(3-phenyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylbutan-1-ol is CC[C@@H]([C@H](O)c1cc(-c2ccccc2)no1)N1CCCC1.
What is the InChIKey of (1S,2S)-1-(3-phenyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylbutan-1-ol?
The InChIKey is JMVXOEHMFDZBLN-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-15(19-10-6-7-11-19)17(20)16-12-14(18-21-16)13-8-4-3-5-9-13/h3-5,8-9,12,15,17,20H,2,6-7,10-11H2,1H3/t15-,17-/m0/s1.
What are the key properties of (1S,2S)-1-(3-phenyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylbutan-1-ol?
(1S,2S)-1-(3-phenyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylbutan-1-ol has a molecular weight of 286.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(3-phenyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylbutan-1-ol is sourced from PubChem (CID 139648109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).