2-(ethoxymethyl)-5-isoquinolin-1-yl-1,3,4-oxadiazole

C14H13N3O2 — CID 154793562

IUPAC2-(ethoxymethyl)-5-isoquinolin-1-yl-1,3,4-oxadiazole
SMILESCCOCc1nnc(-c2nccc3ccccc23)o1
InChIInChI=1S/C14H13N3O2/c1-2-18-9-12-16-17-14(19-12)13-11-6-4-3-5-10(11)7-8-15-13/h3-8H,2,9H2,1H3
InChIKeyUNWYVZYGUMLDNF-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.82
Rot. Bonds4

About 2-(ethoxymethyl)-5-isoquinolin-1-yl-1,3,4-oxadiazole

2-(ethoxymethyl)-5-isoquinolin-1-yl-1,3,4-oxadiazole (PubChem CID 154793562) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(ethoxymethyl)-5-isoquinolin-1-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(ethoxymethyl)-5-isoquinolin-1-yl-1,3,4-oxadiazole
PubChem CID154793562
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-(ethoxymethyl)-5-isoquinolin-1-yl-1,3,4-oxadiazole
SMILESCCOCc1nnc(-c2nccc3ccccc23)o1
InChIInChI=1S/C14H13N3O2/c1-2-18-9-12-16-17-14(19-12)13-11-6-4-3-5-10(11)7-8-15-13/h3-8H,2,9H2,1H3
InChIKeyUNWYVZYGUMLDNF-UHFFFAOYSA-N
XLogP2.82
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 92574158
N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanecarboxamide
CID 92576796
N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide
CID 92566290
N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide
CID 92576803
N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-2-methylbenzamide
CID 98076082
2-isoquinolin-1-yl-5-(5-thiophen-2-yl-3-pyridinyl)-1,3,4-oxadiazole
CID 177262076
1-(4-ethylphenyl)isoquinoline
CID 58184660
N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyridine-2-carboxamide
CID 98076075
ethyl 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79481902
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
CID 27919131
2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 110655871
N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]isoquinoline-1-carboxamide
CID 50843968

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-5-isoquinolin-1-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(ethoxymethyl)-5-isoquinolin-1-yl-1,3,4-oxadiazole (CID 154793562) is 2-(ethoxymethyl)-5-isoquinolin-1-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(ethoxymethyl)-5-isoquinolin-1-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(ethoxymethyl)-5-isoquinolin-1-yl-1,3,4-oxadiazole is CCOCc1nnc(-c2nccc3ccccc23)o1.
What is the InChIKey of 2-(ethoxymethyl)-5-isoquinolin-1-yl-1,3,4-oxadiazole?
The InChIKey is UNWYVZYGUMLDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-2-18-9-12-16-17-14(19-12)13-11-6-4-3-5-10(11)7-8-15-13/h3-8H,2,9H2,1H3.
What are the key properties of 2-(ethoxymethyl)-5-isoquinolin-1-yl-1,3,4-oxadiazole?
2-(ethoxymethyl)-5-isoquinolin-1-yl-1,3,4-oxadiazole has a molecular weight of 255.28 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-5-isoquinolin-1-yl-1,3,4-oxadiazole is sourced from PubChem (CID 154793562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).