2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde

C16H14N2O3 — CID 43417349

IUPAC2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
SMILESCCc1nnc(COc2ccc3ccccc3c2C=O)o1
InChIInChI=1S/C16H14N2O3/c1-2-15-17-18-16(21-15)10-20-14-8-7-11-5-3-4-6-12(11)13(14)9-19/h3-9H,2,10H2,1H3
InChIKeyAZHRKYMWIGTZDA-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.18
Rot. Bonds5

About 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde

2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde (PubChem CID 43417349) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
PubChem CID43417349
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
SMILESCCc1nnc(COc2ccc3ccccc3c2C=O)o1
InChIInChI=1S/C16H14N2O3/c1-2-15-17-18-16(21-15)10-20-14-8-7-11-5-3-4-6-12(11)13(14)9-19/h3-9H,2,10H2,1H3
InChIKeyAZHRKYMWIGTZDA-UHFFFAOYSA-N
XLogP3.18
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(3-Methoxynaphthalen-2-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 712392
2-(5-(Naphthalen-2-yloxy)methyl)-1,3,4-oxadiazol-2-ylthio)-1-p-tolylethanone, 5
CID 1151523
3-[5-(Naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]-1-(4-phenylphenyl)propan-1-one
CID 44226773
2-[1-(6-Methoxynaphthalen-2-yl)ethyl]-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazole
CID 25187358
1-(2,4-Dimethylphenyl)-3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 44127552
1-(4-Methylphenyl)-3-[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 44127553
3-[5-(Naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]-1-phenylpropan-1-one
CID 44127762
1-(4-Methylphenyl)-3-[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 44127763
2-(4-Fluoro-3-methylphenyl)-5-{[(naphthalen-1-yl)oxy]methyl}-1,3,4-oxadiazole
CID 139087293
2-[(Naphthalen-2-yloxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 3163806
2-(2-Fluorophenyl)-5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazole
CID 37968333
2-(3-Fluorophenyl)-5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazole
CID 37968421

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde?
The IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde (CID 43417349) is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde is CCc1nnc(COc2ccc3ccccc3c2C=O)o1.
What is the InChIKey of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde?
The InChIKey is AZHRKYMWIGTZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-2-15-17-18-16(21-15)10-20-14-8-7-11-5-3-4-6-12(11)13(14)9-19/h3-9H,2,10H2,1H3.
What are the key properties of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde?
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde has a molecular weight of 282.30 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde is sourced from PubChem (CID 43417349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).