5-ethyl-3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole

C15H14N2O2 — CID 63862061

IUPAC5-ethyl-3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole
SMILESCCc1nc(COc2cccc3ccccc23)no1
InChIInChI=1S/C15H14N2O2/c1-2-15-16-14(17-19-15)10-18-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3
InChIKeyRFXDCTYRFNMJQH-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.36
Rot. Bonds4

About 5-ethyl-3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole

5-ethyl-3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole (PubChem CID 63862061) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-ethyl-3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole
PubChem CID63862061
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name5-ethyl-3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole
SMILESCCc1nc(COc2cccc3ccccc23)no1
InChIInChI=1S/C15H14N2O2/c1-2-15-16-14(17-19-15)10-18-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3
InChIKeyRFXDCTYRFNMJQH-UHFFFAOYSA-N
XLogP3.36
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine
CID 61494511
3-[(1-bromonaphthalen-2-yl)oxymethyl]-5-propyl-1,2,4-oxadiazole
CID 61495193
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide
CID 86790985
N-[[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63057157
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenol
CID 61497436
5-ethyl-3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole
CID 102847040
[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 28783005
5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole
CID 28782458
5-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole
CID 873913
3-[(2-bromo-4-methylphenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 54959293
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorobenzoic acid
CID 115297819
[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]methanol
CID 61496996

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole (CID 63862061) is 5-ethyl-3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole is CCc1nc(COc2cccc3ccccc23)no1.
What is the InChIKey of 5-ethyl-3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole?
The InChIKey is RFXDCTYRFNMJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-2-15-16-14(17-19-15)10-18-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3.
What are the key properties of 5-ethyl-3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole?
5-ethyl-3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole has a molecular weight of 254.29 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63862061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).