2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol

C20H20N2O3 — CID 146142070

IUPAC2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESCOC(c1ccccc1)c1noc(C2(O)CCc3ccccc3C2)n1
InChIInChI=1S/C20H20N2O3/c1-24-17(15-8-3-2-4-9-15)18-21-19(25-22-18)20(23)12-11-14-7-5-6-10-16(14)13-20/h2-10,17,23H,11-13H2,1H3
InChIKeyXUYOKQGDYHCMKI-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.18
Rot. Bonds4

About 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol

2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 146142070) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID146142070
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESCOC(c1ccccc1)c1noc(C2(O)CCc3ccccc3C2)n1
InChIInChI=1S/C20H20N2O3/c1-24-17(15-8-3-2-4-9-15)18-21-19(25-22-18)20(23)12-11-14-7-5-6-10-16(14)13-20/h2-10,17,23H,11-13H2,1H3
InChIKeyXUYOKQGDYHCMKI-UHFFFAOYSA-N
XLogP3.18
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol (CID 146142070) is 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol is COC(c1ccccc1)c1noc(C2(O)CCc3ccccc3C2)n1.
What is the InChIKey of 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is XUYOKQGDYHCMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-24-17(15-8-3-2-4-9-15)18-21-19(25-22-18)20(23)12-11-14-7-5-6-10-16(14)13-20/h2-10,17,23H,11-13H2,1H3.
What are the key properties of 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol?
2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 336.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 146142070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).