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

C13H14N2O3 — CID 177135048

IUPAC4-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1ccc(-c2noc(CC3CCOC3)n2)cc1
InChIInChI=1S/C13H14N2O3/c16-11-3-1-10(2-4-11)13-14-12(18-15-13)7-9-5-6-17-8-9/h1-4,9,16H,5-8H2
InChIKeyDHYIMGMOIHXPBN-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.02
Rot. Bonds3

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

4-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 177135048) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID177135048
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name4-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1ccc(-c2noc(CC3CCOC3)n2)cc1
InChIInChI=1S/C13H14N2O3/c16-11-3-1-10(2-4-11)13-14-12(18-15-13)7-9-5-6-17-8-9/h1-4,9,16H,5-8H2
InChIKeyDHYIMGMOIHXPBN-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115077254
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(3S)-oxolan-3-yl]acetamide
CID 126429340
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-3-ylmethyl)propanamide
CID 51079044
N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-3-ylmethyl)propanamide
CID 51082586
3-ethyl-5-[[(3R)-oxolan-3-yl]methyl]-1,2,4-oxadiazole
CID 131182892
5-[[4-(oxolan-3-ylmethyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 78896828
2-(ethenylamino)-N-[2-methyl-5-[5-[[(3R)-oxolan-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]prop-2-enamide;nickel
CID 178051576
5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 667308
5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 888719
3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 71261689
4-[(2S)-2-amino-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905799
3-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 113310677

Frequently Asked Questions

What is the IUPAC name of 4-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 4-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol (CID 177135048) is 4-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 4-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol is Oc1ccc(-c2noc(CC3CCOC3)n2)cc1.
What is the InChIKey of 4-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is DHYIMGMOIHXPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-11-3-1-10(2-4-11)13-14-12(18-15-13)7-9-5-6-17-8-9/h1-4,9,16H,5-8H2.
What are the key properties of 4-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol?
4-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 246.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 177135048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).