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

C14H17N3O2 — CID 78963885

IUPAC(3R)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol
SMILESCc1ccc(-c2nc(CN3CC[C@@H](O)C3)no2)cc1
InChIInChI=1S/C14H17N3O2/c1-10-2-4-11(5-3-10)14-15-13(16-19-14)9-17-7-6-12(18)8-17/h2-5,12,18H,6-9H2,1H3/t12-/m1/s1
InChIKeyJZTXFQJHTYPMBU-GFCCVEGCSA-N
MW259.31 g/mol
LogP1.61
Rot. Bonds3

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

(3R)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol (PubChem CID 78963885) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (3R)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol
PubChem CID78963885
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(3R)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol
SMILESCc1ccc(-c2nc(CN3CC[C@@H](O)C3)no2)cc1
InChIInChI=1S/C14H17N3O2/c1-10-2-4-11(5-3-10)14-15-13(16-19-14)9-17-7-6-12(18)8-17/h2-5,12,18H,6-9H2,1H3/t12-/m1/s1
InChIKeyJZTXFQJHTYPMBU-GFCCVEGCSA-N
XLogP1.61
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol (CID 78963885) is (3R)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol is Cc1ccc(-c2nc(CN3CC[C@@H](O)C3)no2)cc1.
What is the InChIKey of (3R)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol?
The InChIKey is JZTXFQJHTYPMBU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-2-4-11(5-3-10)14-15-13(16-19-14)9-17-7-6-12(18)8-17/h2-5,12,18H,6-9H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol?
(3R)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol has a molecular weight of 259.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 78963885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).