3-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol

C13H14N2O3 — CID 65329458

IUPAC3-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESOc1cccc(Cc2nc(C3CCOC3)no2)c1
InChIInChI=1S/C13H14N2O3/c16-11-3-1-2-9(6-11)7-12-14-13(15-18-12)10-4-5-17-8-10/h1-3,6,10,16H,4-5,7-8H2
InChIKeyZUEIXKLMSMLLOI-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.87
Rot. Bonds3

About 3-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol

3-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol (PubChem CID 65329458) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
PubChem CID65329458
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESOc1cccc(Cc2nc(C3CCOC3)no2)c1
InChIInChI=1S/C13H14N2O3/c16-11-3-1-2-9(6-11)7-12-14-13(15-18-12)10-4-5-17-8-10/h1-3,6,10,16H,4-5,7-8H2
InChIKeyZUEIXKLMSMLLOI-UHFFFAOYSA-N
XLogP1.87
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65334211
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740545
4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 97444140
3-[(3S)-oxolan-3-yl]-5-[(2-phenylmethoxyphenyl)methyl]-1,2,4-oxadiazole
CID 97443860
4-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]phenol
CID 65329992
3-[(3S)-oxolan-3-yl]-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 97082819
5-[(2,5-difluorophenyl)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 71971359
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 63851274
3-(3-methylphenyl)-5-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazole
CID 72846499
3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 65345651
4-methyl-2-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 136678833
5-(2,3-dihydro-1H-inden-2-ylmethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97456867

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The IUPAC name of 3-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol (CID 65329458) is 3-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol.
What is the SMILES notation for 3-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The canonical SMILES for 3-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol is Oc1cccc(Cc2nc(C3CCOC3)no2)c1.
What is the InChIKey of 3-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The InChIKey is ZUEIXKLMSMLLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-11-3-1-2-9(6-11)7-12-14-13(15-18-12)10-4-5-17-8-10/h1-3,6,10,16H,4-5,7-8H2.
What are the key properties of 3-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
3-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol has a molecular weight of 246.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol is sourced from PubChem (CID 65329458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).