4-[7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-1-yl]piperazine-1-carboxylic acid

C24H22N4O4 — CID 22115610

IUPAC4-[7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-1-yl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2cccc3ccc(OCc4nc(-c5ccccc5)no4)cc23)CC1
InChIInChI=1S/C24H22N4O4/c29-24(30)28-13-11-27(12-14-28)21-8-4-7-17-9-10-19(15-20(17)21)31-16-22-25-23(26-32-22)18-5-2-1-3-6-18/h1-10,15H,11-14,16H2,(H,29,30)
InChIKeyUQZQRUWOPSVARZ-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.27
Rot. Bonds5

About 4-[7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-1-yl]piperazine-1-carboxylic acid

4-[7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-1-yl]piperazine-1-carboxylic acid (PubChem CID 22115610) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 4-[7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-1-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-1-yl]piperazine-1-carboxylic acid
PubChem CID22115610
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name4-[7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-1-yl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2cccc3ccc(OCc4nc(-c5ccccc5)no4)cc23)CC1
InChIInChI=1S/C24H22N4O4/c29-24(30)28-13-11-27(12-14-28)21-8-4-7-17-9-10-19(15-20(17)21)31-16-22-25-23(26-32-22)18-5-2-1-3-6-18/h1-10,15H,11-14,16H2,(H,29,30)
InChIKeyUQZQRUWOPSVARZ-UHFFFAOYSA-N
XLogP4.27
TPSA91.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-1-yl]piperazine-1-carboxylic acid with MolForge

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Related Compounds

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-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole
CID 873913
1-[[1-methyl-6-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
CID 66852629
5-[(4-bromo-3-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 583217
[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 20932299
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone
CID 38115046
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanone
CID 50848904
5-[[8-(1-ethyl-4-methylpiperidin-4-yl)naphthalen-2-yl]oxymethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 22115657
4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 30029077
N-methyl-2-naphthalen-2-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8874641
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7580840

Frequently Asked Questions

What is the IUPAC name of 4-[7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-1-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-1-yl]piperazine-1-carboxylic acid (CID 22115610) is 4-[7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-1-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-1-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-1-yl]piperazine-1-carboxylic acid is O=C(O)N1CCN(c2cccc3ccc(OCc4nc(-c5ccccc5)no4)cc23)CC1.
What is the InChIKey of 4-[7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-1-yl]piperazine-1-carboxylic acid?
The InChIKey is UQZQRUWOPSVARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c29-24(30)28-13-11-27(12-14-28)21-8-4-7-17-9-10-19(15-20(17)21)31-16-22-25-23(26-32-22)18-5-2-1-3-6-18/h1-10,15H,11-14,16H2,(H,29,30).
What are the key properties of 4-[7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-1-yl]piperazine-1-carboxylic acid?
4-[7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-1-yl]piperazine-1-carboxylic acid has a molecular weight of 430.46 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-1-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 22115610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).