(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 4-methoxynaphthalene-1-carboxylate

C17H16N2O4 — CID 18139489

IUPAC(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 4-methoxynaphthalene-1-carboxylate
SMILESCCc1nnc(COC(=O)c2ccc(OC)c3ccccc23)o1
InChIInChI=1S/C17H16N2O4/c1-3-15-18-19-16(23-15)10-22-17(20)13-8-9-14(21-2)12-7-5-4-6-11(12)13/h4-9H,3,10H2,1-2H3
InChIKeyCGKURQDGANTYTL-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.15
Rot. Bonds5

About (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 4-methoxynaphthalene-1-carboxylate

(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 4-methoxynaphthalene-1-carboxylate (PubChem CID 18139489) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 4-methoxynaphthalene-1-carboxylate.

Molecular Properties

Compound Name(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 4-methoxynaphthalene-1-carboxylate
PubChem CID18139489
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 4-methoxynaphthalene-1-carboxylate
SMILESCCc1nnc(COC(=O)c2ccc(OC)c3ccccc23)o1
InChIInChI=1S/C17H16N2O4/c1-3-15-18-19-16(23-15)10-22-17(20)13-8-9-14(21-2)12-7-5-4-6-11(12)13/h4-9H,3,10H2,1-2H3
InChIKeyCGKURQDGANTYTL-UHFFFAOYSA-N
XLogP3.15
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2,3,4-trimethoxybenzoate
CID 8610388
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 2-nitrobenzoate
CID 18169528
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate
CID 18130355
4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide
CID 91102040
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 3-chloro-1-benzothiophene-2-carboxylate
CID 18130498
[2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596344
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 8820337
ethyl 3-[(2,3,4-trimethoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 8509793
[2-oxo-2-(pentan-3-ylamino)ethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596447
[2-(ethoxycarbonylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596815
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-5-methylsulfonylbenzoate
CID 31523829
(5-amino-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1-oxoisoquinoline-4-carboxylate
CID 166334195

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 4-methoxynaphthalene-1-carboxylate?
The IUPAC name of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 4-methoxynaphthalene-1-carboxylate (CID 18139489) is (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 4-methoxynaphthalene-1-carboxylate.
What is the SMILES notation for (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 4-methoxynaphthalene-1-carboxylate?
The canonical SMILES for (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 4-methoxynaphthalene-1-carboxylate is CCc1nnc(COC(=O)c2ccc(OC)c3ccccc23)o1.
What is the InChIKey of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 4-methoxynaphthalene-1-carboxylate?
The InChIKey is CGKURQDGANTYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-3-15-18-19-16(23-15)10-22-17(20)13-8-9-14(21-2)12-7-5-4-6-11(12)13/h4-9H,3,10H2,1-2H3.
What are the key properties of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 4-methoxynaphthalene-1-carboxylate?
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 4-methoxynaphthalene-1-carboxylate has a molecular weight of 312.33 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 4-methoxynaphthalene-1-carboxylate is sourced from PubChem (CID 18139489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).