2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol

C16H14N2O3 — CID 136813443

IUPAC2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESOc1cccc(O)c1-c1nc(CCc2ccccc2)no1
InChIInChI=1S/C16H14N2O3/c19-12-7-4-8-13(20)15(12)16-17-14(18-21-16)10-9-11-5-2-1-3-6-11/h1-8,19-20H,9-10H2
InChIKeyQPVRJTKMYVMDIF-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.93
Rot. Bonds4

About 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol

2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (PubChem CID 136813443) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
PubChem CID136813443
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESOc1cccc(O)c1-c1nc(CCc2ccccc2)no1
InChIInChI=1S/C16H14N2O3/c19-12-7-4-8-13(20)15(12)16-17-14(18-21-16)10-9-11-5-2-1-3-6-11/h1-8,19-20H,9-10H2
InChIKeyQPVRJTKMYVMDIF-UHFFFAOYSA-N
XLogP2.93
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011370
2-methyl-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63847009
2-methyl-4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751099
2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol
CID 136670660
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813444
2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813400
5-(chloromethyl)-3-(2-phenylethyl)-1,2,4-oxadiazole
CID 61384973
4-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63654035
3-fluoro-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136789900
5-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63618217
N-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 55124024
4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-sulfonamide
CID 99839607

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The IUPAC name of 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (CID 136813443) is 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is Oc1cccc(O)c1-c1nc(CCc2ccccc2)no1.
What is the InChIKey of 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The InChIKey is QPVRJTKMYVMDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-12-7-4-8-13(20)15(12)16-17-14(18-21-16)10-9-11-5-2-1-3-6-11/h1-8,19-20H,9-10H2.
What are the key properties of 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol has a molecular weight of 282.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 136813443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).