4-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)phenol

C12H13N3O2 — CID 136699782

IUPAC4-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESOc1ccc(-c2nc(C3CCNC3)no2)cc1
InChIInChI=1S/C12H13N3O2/c16-10-3-1-8(2-4-10)12-14-11(15-17-12)9-5-6-13-7-9/h1-4,9,13,16H,5-7H2
InChIKeyKNQWLDHACWEQSH-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.52
Rot. Bonds2

About 4-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)phenol

4-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 136699782) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name4-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID136699782
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESOc1ccc(-c2nc(C3CCNC3)no2)cc1
InChIInChI=1S/C12H13N3O2/c16-10-3-1-8(2-4-10)12-14-11(15-17-12)9-5-6-13-7-9/h1-4,9,13,16H,5-7H2
InChIKeyKNQWLDHACWEQSH-UHFFFAOYSA-N
XLogP1.52
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 4-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)phenol (CID 136699782) is 4-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 4-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 4-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)phenol is Oc1ccc(-c2nc(C3CCNC3)no2)cc1.
What is the InChIKey of 4-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is KNQWLDHACWEQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-10-3-1-8(2-4-10)12-14-11(15-17-12)9-5-6-13-7-9/h1-4,9,13,16H,5-7H2.
What are the key properties of 4-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)phenol?
4-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)phenol has a molecular weight of 231.25 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 136699782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).