(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-ethoxybenzoate

C18H16N2O4 — CID 8607847

IUPAC(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCc1nc(-c2ccccc2)no1
InChIInChI=1S/C18H16N2O4/c1-2-22-15-11-7-6-10-14(15)18(21)23-12-16-19-17(20-24-16)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyZVWDNNRTZJUGPK-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.49
Rot. Bonds6

About (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-ethoxybenzoate

(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-ethoxybenzoate (PubChem CID 8607847) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-ethoxybenzoate.

Molecular Properties

Compound Name(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-ethoxybenzoate
PubChem CID8607847
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCc1nc(-c2ccccc2)no1
InChIInChI=1S/C18H16N2O4/c1-2-22-15-11-7-6-10-14(15)18(21)23-12-16-19-17(20-24-16)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyZVWDNNRTZJUGPK-UHFFFAOYSA-N
XLogP3.49
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-ethylsulfonylbenzoate
CID 8857809
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethylsulfinylbenzoate
CID 55561765
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 9,10-dioxoanthracene-1-carboxylate
CID 16595659
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
CID 8765691
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloroquinoline-4-carboxylate
CID 55492448
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxybenzoate
CID 16540219
[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 2-ethoxybenzoate
CID 35481608
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-2-nitrobenzoate
CID 18134974
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 20896118
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 5-acetylthiophene-2-carboxylate
CID 18100127
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2-amino-2-oxoethyl)sulfanylbenzoate
CID 9478384
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-chloro-4-fluorobenzoate
CID 8764401

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-ethoxybenzoate?
The IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-ethoxybenzoate (CID 8607847) is (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-ethoxybenzoate.
What is the SMILES notation for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-ethoxybenzoate?
The canonical SMILES for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-ethoxybenzoate is CCOc1ccccc1C(=O)OCc1nc(-c2ccccc2)no1.
What is the InChIKey of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-ethoxybenzoate?
The InChIKey is ZVWDNNRTZJUGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-2-22-15-11-7-6-10-14(15)18(21)23-12-16-19-17(20-24-16)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3.
What are the key properties of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-ethoxybenzoate?
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-ethoxybenzoate has a molecular weight of 324.34 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-ethoxybenzoate is sourced from PubChem (CID 8607847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).