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

C15H18N2O3 — CID 45251452

IUPAC4-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
SMILESOc1ccc(CCc2nc(CC3CCCO3)no2)cc1
InChIInChI=1S/C15H18N2O3/c18-12-6-3-11(4-7-12)5-8-15-16-14(17-20-15)10-13-2-1-9-19-13/h3-4,6-7,13,18H,1-2,5,8-10H2
InChIKeyZYNBGPWQUGIUES-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.28
Rot. Bonds5

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

4-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol (PubChem CID 45251452) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
PubChem CID45251452
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
SMILESOc1ccc(CCc2nc(CC3CCCO3)no2)cc1
InChIInChI=1S/C15H18N2O3/c18-12-6-3-11(4-7-12)5-8-15-16-14(17-20-15)10-13-2-1-9-19-13/h3-4,6-7,13,18H,1-2,5,8-10H2
InChIKeyZYNBGPWQUGIUES-UHFFFAOYSA-N
XLogP2.28
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloropropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 43513448
2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 63345481
[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methanol
CID 102660318
2-methyl-4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 113391174
4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 97444140
3-(chloromethyl)-5-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 65155797
N,3,3-trimethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63347559
3-methyl-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 113391746
2-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82831134
N-[[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 65159673
N-methyl-3-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115078241
1-methoxy-N-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347046

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol?
The IUPAC name of 4-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol (CID 45251452) is 4-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol is Oc1ccc(CCc2nc(CC3CCCO3)no2)cc1.
What is the InChIKey of 4-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol?
The InChIKey is ZYNBGPWQUGIUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-12-6-3-11(4-7-12)5-8-15-16-14(17-20-15)10-13-2-1-9-19-13/h3-4,6-7,13,18H,1-2,5,8-10H2.
What are the key properties of 4-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol?
4-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol has a molecular weight of 274.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol is sourced from PubChem (CID 45251452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).