3-[5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]phenol

C12H15N3O2 — CID 107921186

IUPAC3-[5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]phenol
SMILESCNC(C)(C)c1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C12H15N3O2/c1-12(2,13-3)11-14-10(15-17-11)8-5-4-6-9(16)7-8/h4-7,13,16H,1-3H3
InChIKeyKGXCWMNGQFJEPB-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.90
Rot. Bonds3

About 3-[5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]phenol

3-[5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 107921186) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]phenol
PubChem CID107921186
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-[5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]phenol
SMILESCNC(C)(C)c1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C12H15N3O2/c1-12(2,13-3)11-14-10(15-17-11)8-5-4-6-9(16)7-8/h4-7,13,16H,1-3H3
InChIKeyKGXCWMNGQFJEPB-UHFFFAOYSA-N
XLogP1.90
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]phenol (CID 107921186) is 3-[5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]phenol is CNC(C)(C)c1nc(-c2cccc(O)c2)no1.
What is the InChIKey of 3-[5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is KGXCWMNGQFJEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2,13-3)11-14-10(15-17-11)8-5-4-6-9(16)7-8/h4-7,13,16H,1-3H3.
What are the key properties of 3-[5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]phenol?
3-[5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 233.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 107921186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).