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

C15H12N2O3 — CID 43388676

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
SMILESCc1nnc(COc2ccc3ccccc3c2C=O)o1
InChIInChI=1S/C15H12N2O3/c1-10-16-17-15(20-10)9-19-14-7-6-11-4-2-3-5-12(11)13(14)8-18/h2-8H,9H2,1H3
InChIKeyLUAVMHIKVHRGEY-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.92
Rot. Bonds4

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

2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde (PubChem CID 43388676) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
PubChem CID43388676
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
SMILESCc1nnc(COc2ccc3ccccc3c2C=O)o1
InChIInChI=1S/C15H12N2O3/c1-10-16-17-15(20-10)9-19-14-7-6-11-4-2-3-5-12(11)13(14)8-18/h2-8H,9H2,1H3
InChIKeyLUAVMHIKVHRGEY-UHFFFAOYSA-N
XLogP2.92
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.92
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-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
CID 43417349
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
CID 27919131
2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 54919221
3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 112611134
2-[(2-methyltetrazol-5-yl)methoxy]naphthalene-1-carbaldehyde
CID 107043143
2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde
CID 4737132
2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde
CID 10823964
2-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 78906446
2-(1,3-thiazol-4-ylmethoxy)naphthalene-1-carbaldehyde
CID 43505591
methyl 5-[(1-formylnaphthalen-2-yl)oxymethyl]-3-methylfuran-2-carboxylate
CID 78878639
2-[(3-bromo-1,2-oxazol-5-yl)methoxy]naphthalene-1-carbaldehyde
CID 86041011
2-[(1-methylpyrazol-4-yl)methoxy]naphthalene-1-carbaldehyde
CID 43417346

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde (CID 43388676) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde is Cc1nnc(COc2ccc3ccccc3c2C=O)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde?
The InChIKey is LUAVMHIKVHRGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-10-16-17-15(20-10)9-19-14-7-6-11-4-2-3-5-12(11)13(14)8-18/h2-8H,9H2,1H3.
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde has a molecular weight of 268.27 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde is sourced from PubChem (CID 43388676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).