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

C20H14N2O3 — CID 27919131

IUPAC2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
SMILESO=Cc1c(OCc2nnc(-c3ccccc3)o2)ccc2ccccc12
InChIInChI=1S/C20H14N2O3/c23-12-17-16-9-5-4-6-14(16)10-11-18(17)24-13-19-21-22-20(25-19)15-7-2-1-3-8-15/h1-12H,13H2
InChIKeyWYNFWYGKTKOIHO-UHFFFAOYSA-N
MW330.34 g/mol
LogP4.28
Rot. Bonds5

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

2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde (PubChem CID 27919131) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
PubChem CID27919131
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
SMILESO=Cc1c(OCc2nnc(-c3ccccc3)o2)ccc2ccccc12
InChIInChI=1S/C20H14N2O3/c23-12-17-16-9-5-4-6-14(16)10-11-18(17)24-13-19-21-22-20(25-19)15-7-2-1-3-8-15/h1-12H,13H2
InChIKeyWYNFWYGKTKOIHO-UHFFFAOYSA-N
XLogP4.28
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.28
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-methyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
CID 43388676
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile
CID 2714605
2-(1,3-thiazol-4-ylmethoxy)naphthalene-1-carbaldehyde
CID 43505591
2-[(2-tert-butylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 110655564
2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 17404310
2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 16583524
2-[(3-bromo-1,2-oxazol-5-yl)methoxy]naphthalene-1-carbaldehyde
CID 86041011
2-[(2-methyltetrazol-5-yl)methoxy]naphthalene-1-carbaldehyde
CID 107043143
2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 110655871
2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 18859382
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16607939

Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde?
The IUPAC name of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde (CID 27919131) is 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde is O=Cc1c(OCc2nnc(-c3ccccc3)o2)ccc2ccccc12.
What is the InChIKey of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde?
The InChIKey is WYNFWYGKTKOIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c23-12-17-16-9-5-4-6-14(16)10-11-18(17)24-13-19-21-22-20(25-19)15-7-2-1-3-8-15/h1-12H,13H2.
What are the key properties of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde?
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde has a molecular weight of 330.34 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde is sourced from PubChem (CID 27919131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).