5-[[8-(1-ethyl-4-methylpiperidin-4-yl)naphthalen-2-yl]oxymethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

C27H28FN3O2 — CID 22115657

IUPAC5-[[8-(1-ethyl-4-methylpiperidin-4-yl)naphthalen-2-yl]oxymethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCCN1CCC(C)(c2cccc3ccc(OCc4nc(-c5ccc(F)cc5)no4)cc23)CC1
InChIInChI=1S/C27H28FN3O2/c1-3-31-15-13-27(2,14-16-31)24-6-4-5-19-9-12-22(17-23(19)24)32-18-25-29-26(30-33-25)20-7-10-21(28)11-8-20/h4-12,17H,3,13-16,18H2,1-2H3
InChIKeyIDWCOYRDTHCLSR-UHFFFAOYSA-N
MW445.54 g/mol
LogP5.98
Rot. Bonds6

About 5-[[8-(1-ethyl-4-methylpiperidin-4-yl)naphthalen-2-yl]oxymethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

5-[[8-(1-ethyl-4-methylpiperidin-4-yl)naphthalen-2-yl]oxymethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 22115657) has the molecular formula C27H28FN3O2 and a molecular weight of 445.54 g/mol. Its IUPAC name is 5-[[8-(1-ethyl-4-methylpiperidin-4-yl)naphthalen-2-yl]oxymethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[8-(1-ethyl-4-methylpiperidin-4-yl)naphthalen-2-yl]oxymethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID22115657
Molecular FormulaC27H28FN3O2
Molecular Weight445.54 g/mol
Exact Mass445.22
IUPAC Name5-[[8-(1-ethyl-4-methylpiperidin-4-yl)naphthalen-2-yl]oxymethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCCN1CCC(C)(c2cccc3ccc(OCc4nc(-c5ccc(F)cc5)no4)cc23)CC1
InChIInChI=1S/C27H28FN3O2/c1-3-31-15-13-27(2,14-16-31)24-6-4-5-19-9-12-22(17-23(19)24)32-18-25-29-26(30-33-25)20-7-10-21(28)11-8-20/h4-12,17H,3,13-16,18H2,1-2H3
InChIKeyIDWCOYRDTHCLSR-UHFFFAOYSA-N
XLogP5.98
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[[8-(1-ethyl-4-methylpiperidin-4-yl)naphthalen-2-yl]oxymethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(4-fluorophenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2227874
5-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 6461755
7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
CID 9137817
7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-propylchromen-2-one
CID 9353949
4-[7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-1-yl]piperazine-1-carboxylic acid
CID 22115610
(4-fluorophenyl)-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone
CID 18192008
3-(3-fluoro-4-methylphenyl)-5-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 86917000
3-(2-methoxyphenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole
CID 22115631
3-(2-fluorophenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole;dihydrochloride
CID 22115574
5-[(3-methoxyphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3159105
3-(4-fluorophenyl)-5-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,2,4-oxadiazole
CID 19326221
3-(3-fluoro-4-methylphenyl)-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-1,2,4-oxadiazole
CID 51333661

Frequently Asked Questions

What is the IUPAC name of 5-[[8-(1-ethyl-4-methylpiperidin-4-yl)naphthalen-2-yl]oxymethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[8-(1-ethyl-4-methylpiperidin-4-yl)naphthalen-2-yl]oxymethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 22115657) is 5-[[8-(1-ethyl-4-methylpiperidin-4-yl)naphthalen-2-yl]oxymethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[8-(1-ethyl-4-methylpiperidin-4-yl)naphthalen-2-yl]oxymethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[8-(1-ethyl-4-methylpiperidin-4-yl)naphthalen-2-yl]oxymethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is CCN1CCC(C)(c2cccc3ccc(OCc4nc(-c5ccc(F)cc5)no4)cc23)CC1.
What is the InChIKey of 5-[[8-(1-ethyl-4-methylpiperidin-4-yl)naphthalen-2-yl]oxymethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is IDWCOYRDTHCLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O2/c1-3-31-15-13-27(2,14-16-31)24-6-4-5-19-9-12-22(17-23(19)24)32-18-25-29-26(30-33-25)20-7-10-21(28)11-8-20/h4-12,17H,3,13-16,18H2,1-2H3.
What are the key properties of 5-[[8-(1-ethyl-4-methylpiperidin-4-yl)naphthalen-2-yl]oxymethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-[[8-(1-ethyl-4-methylpiperidin-4-yl)naphthalen-2-yl]oxymethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 445.54 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[8-(1-ethyl-4-methylpiperidin-4-yl)naphthalen-2-yl]oxymethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 22115657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).