1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanol

C16H16N2O3 — CID 43504376

IUPAC1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanol
SMILESCc1noc(COc2c(C(C)O)ccc3ccccc23)n1
InChIInChI=1S/C16H16N2O3/c1-10(19)13-8-7-12-5-3-4-6-14(12)16(13)20-9-15-17-11(2)18-21-15/h3-8,10,19H,9H2,1-2H3
InChIKeySQALCTWVMDGPJI-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.16
Rot. Bonds4

About 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanol

1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanol (PubChem CID 43504376) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanol
PubChem CID43504376
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanol
SMILESCc1noc(COc2c(C(C)O)ccc3ccccc23)n1
InChIInChI=1S/C16H16N2O3/c1-10(19)13-8-7-12-5-3-4-6-14(12)16(13)20-9-15-17-11(2)18-21-15/h3-8,10,19H,9H2,1-2H3
InChIKeySQALCTWVMDGPJI-UHFFFAOYSA-N
XLogP3.16
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanol?
The IUPAC name of 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanol (CID 43504376) is 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanol.
What is the SMILES notation for 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanol?
The canonical SMILES for 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanol is Cc1noc(COc2c(C(C)O)ccc3ccccc23)n1.
What is the InChIKey of 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanol?
The InChIKey is SQALCTWVMDGPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10(19)13-8-7-12-5-3-4-6-14(12)16(13)20-9-15-17-11(2)18-21-15/h3-8,10,19H,9H2,1-2H3.
What are the key properties of 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanol?
1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanol has a molecular weight of 284.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanol is sourced from PubChem (CID 43504376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).