(7-methoxynaphthalen-2-yl) 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate

C21H16N2O4 — CID 134047035

IUPAC(7-methoxynaphthalen-2-yl) 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
SMILESCOc1ccc2ccc(OC(=O)c3ccc(-c4nc(C)no4)cc3)cc2c1
InChIInChI=1S/C21H16N2O4/c1-13-22-20(27-23-13)15-3-5-16(6-4-15)21(24)26-19-10-8-14-7-9-18(25-2)11-17(14)12-19/h3-12H,1-2H3
InChIKeyBTUCZENZEHSJPG-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.43
Rot. Bonds4

About (7-methoxynaphthalen-2-yl) 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate

(7-methoxynaphthalen-2-yl) 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate (PubChem CID 134047035) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is (7-methoxynaphthalen-2-yl) 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate.

Molecular Properties

Compound Name(7-methoxynaphthalen-2-yl) 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
PubChem CID134047035
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name(7-methoxynaphthalen-2-yl) 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
SMILESCOc1ccc2ccc(OC(=O)c3ccc(-c4nc(C)no4)cc3)cc2c1
InChIInChI=1S/C21H16N2O4/c1-13-22-20(27-23-13)15-3-5-16(6-4-15)21(24)26-19-10-8-14-7-9-18(25-2)11-17(14)12-19/h3-12H,1-2H3
InChIKeyBTUCZENZEHSJPG-UHFFFAOYSA-N
XLogP4.43
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(7-methoxynaphthalen-2-yl) 4-acetylbenzoate
CID 58800516
naphthalen-2-yl 4-methoxybenzoate
CID 532400
(2-methoxy-5-nitrophenyl) 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
CID 134046719
methyl 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 6461496
(6-acetylnaphthalen-2-yl) 4-methoxybenzoate
CID 59109365
(3,4-dimethylphenyl) 4-methoxybenzoate
CID 4928836
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
CID 24669787
[4-[5-[4-(4-decoxybenzoyl)oxyphenyl]-1,2,4-oxadiazol-3-yl]phenyl] 4-decoxybenzoate
CID 132607487
[4-[5-[4-(4-nonoxybenzoyl)oxyphenyl]-1,2,4-oxadiazol-3-yl]phenyl] 4-nonoxybenzoate
CID 101493245
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46437989
bis(3-methoxyphenyl) benzene-1,4-dicarboxylate
CID 91738938
(3-methyl-4-propan-2-ylphenyl) 4-methoxybenzoate
CID 23240007

Frequently Asked Questions

What is the IUPAC name of (7-methoxynaphthalen-2-yl) 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate?
The IUPAC name of (7-methoxynaphthalen-2-yl) 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate (CID 134047035) is (7-methoxynaphthalen-2-yl) 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate.
What is the SMILES notation for (7-methoxynaphthalen-2-yl) 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate?
The canonical SMILES for (7-methoxynaphthalen-2-yl) 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate is COc1ccc2ccc(OC(=O)c3ccc(-c4nc(C)no4)cc3)cc2c1.
What is the InChIKey of (7-methoxynaphthalen-2-yl) 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate?
The InChIKey is BTUCZENZEHSJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c1-13-22-20(27-23-13)15-3-5-16(6-4-15)21(24)26-19-10-8-14-7-9-18(25-2)11-17(14)12-19/h3-12H,1-2H3.
What are the key properties of (7-methoxynaphthalen-2-yl) 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate?
(7-methoxynaphthalen-2-yl) 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate has a molecular weight of 360.37 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxynaphthalen-2-yl) 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate is sourced from PubChem (CID 134047035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).