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

C13H14N2O4 — CID 115826071

IUPAC2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESOc1ccccc1Cc1nc(C2COCCO2)no1
InChIInChI=1S/C13H14N2O4/c16-10-4-2-1-3-9(10)7-12-14-13(15-19-12)11-8-17-5-6-18-11/h1-4,11,16H,5-8H2
InChIKeyMPKMQMWAUCPVKL-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.45
Rot. Bonds3

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

2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol (PubChem CID 115826071) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
PubChem CID115826071
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESOc1ccccc1Cc1nc(C2COCCO2)no1
InChIInChI=1S/C13H14N2O4/c16-10-4-2-1-3-9(10)7-12-14-13(15-19-12)11-8-17-5-6-18-11/h1-4,11,16H,5-8H2
InChIKeyMPKMQMWAUCPVKL-UHFFFAOYSA-N
XLogP1.45
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65353536
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740545
2-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 65353018
1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
CID 65351798
1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 65351704
1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
CID 65351799
2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740996
1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
CID 65351655
(2R)-2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
CID 97343748
(2S)-2-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
CID 97343741
2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 116799871
2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 114286517

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The IUPAC name of 2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol (CID 115826071) is 2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol.
What is the SMILES notation for 2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The canonical SMILES for 2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol is Oc1ccccc1Cc1nc(C2COCCO2)no1.
What is the InChIKey of 2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The InChIKey is MPKMQMWAUCPVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-10-4-2-1-3-9(10)7-12-14-13(15-19-12)11-8-17-5-6-18-11/h1-4,11,16H,5-8H2.
What are the key properties of 2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol has a molecular weight of 262.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol is sourced from PubChem (CID 115826071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).