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

C16H14N2O3 — CID 43415539

IUPAC1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2ccccc2c1OCc1nc(C)no1
InChIInChI=1S/C16H14N2O3/c1-10(19)13-8-7-12-5-3-4-6-14(12)16(13)20-9-15-17-11(2)18-21-15/h3-8H,9H2,1-2H3
InChIKeyMORLEAIQIVTOEE-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.31
Rot. Bonds4

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

1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanone (PubChem CID 43415539) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanone
PubChem CID43415539
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2ccccc2c1OCc1nc(C)no1
InChIInChI=1S/C16H14N2O3/c1-10(19)13-8-7-12-5-3-4-6-14(12)16(13)20-9-15-17-11(2)18-21-15/h3-8H,9H2,1-2H3
InChIKeyMORLEAIQIVTOEE-UHFFFAOYSA-N
XLogP3.31
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanol
CID 43504376
1-[1-(pyridin-4-ylmethoxy)naphthalen-2-yl]ethanone
CID 43474275
1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanone
CID 115979015
1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalene-2-carboxylic acid
CID 60682901
1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone
CID 43388547
[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone
CID 18165734
1-[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone
CID 143253149
1-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-3-nitrophenyl]ethanone
CID 116541767
1-(1-hexoxynaphthalen-2-yl)ethanone
CID 43474263
1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]ethanone
CID 43474269
1-(1-but-2-ynoxynaphthalen-2-yl)ethanone
CID 62312338
5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole
CID 60718341

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanone?
The IUPAC name of 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanone (CID 43415539) is 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanone?
The canonical SMILES for 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanone is CC(=O)c1ccc2ccccc2c1OCc1nc(C)no1.
What is the InChIKey of 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanone?
The InChIKey is MORLEAIQIVTOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-10(19)13-8-7-12-5-3-4-6-14(12)16(13)20-9-15-17-11(2)18-21-15/h3-8H,9H2,1-2H3.
What are the key properties of 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanone?
1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanone has a molecular weight of 282.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 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]ethanone is sourced from PubChem (CID 43415539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).