5-[[4-[3-[methoxy(naphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-phenyl-1,2-oxazole

C33H32N2O4 — CID 70095116

IUPAC5-[[4-[3-[methoxy(naphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-phenyl-1,2-oxazole
SMILESCOC(OC1CNCCC1c1ccc(OCc2cc(-c3ccccc3)no2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C33H32N2O4/c1-36-33(27-12-11-23-7-5-6-10-26(23)19-27)38-32-21-34-18-17-30(32)24-13-15-28(16-14-24)37-22-29-20-31(35-39-29)25-8-3-2-4-9-25/h2-16,19-20,30,32-34H,17-18,21-22H2,1H3
InChIKeyGWYXFQKBXDNWCO-UHFFFAOYSA-N
MW520.63 g/mol
LogP6.88
Rot. Bonds9

About 5-[[4-[3-[methoxy(naphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-phenyl-1,2-oxazole

5-[[4-[3-[methoxy(naphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-phenyl-1,2-oxazole (PubChem CID 70095116) has the molecular formula C33H32N2O4 and a molecular weight of 520.63 g/mol. Its IUPAC name is 5-[[4-[3-[methoxy(naphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[4-[3-[methoxy(naphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-phenyl-1,2-oxazole
PubChem CID70095116
Molecular FormulaC33H32N2O4
Molecular Weight520.63 g/mol
Exact Mass520.24
IUPAC Name5-[[4-[3-[methoxy(naphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-phenyl-1,2-oxazole
SMILESCOC(OC1CNCCC1c1ccc(OCc2cc(-c3ccccc3)no2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C33H32N2O4/c1-36-33(27-12-11-23-7-5-6-10-26(23)19-27)38-32-21-34-18-17-30(32)24-13-15-28(16-14-24)37-22-29-20-31(35-39-29)25-8-3-2-4-9-25/h2-16,19-20,30,32-34H,17-18,21-22H2,1H3
InChIKeyGWYXFQKBXDNWCO-UHFFFAOYSA-N
XLogP6.88
TPSA65.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-[[4-[3-[methoxy(naphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-phenyl-1,2-oxazole with MolForge

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Related Compounds

5-[[4-[(3S,4S)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]methyl]-3-phenyl-1,2,4-oxadiazole
CID 100967458
3-phenyl-5-[[4-[10,15,20-tris[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenoxy]methyl]-1,2-oxazole
CID 45005556
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
3-[(2-methoxyphenyl)methoxy]-4-[4-(naphthalen-2-ylmethoxy)phenyl]piperidine
CID 22128513
3-[methoxy(naphthalen-2-yl)methoxy]-4-[4-(2-phenoxyethyl)phenyl]piperidine-1-carboxylic acid
CID 70129449
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine
CID 22128244
tert-butyl 3-hydroxy-4-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]piperidine-1-carboxylate
CID 54505547
[4-(3-naphthalen-2-yloxypiperidin-4-yl)phenyl] benzoate
CID 139787567
5-[[4-[3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 22127067
4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 140989345
(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine
CID 100967467
4-[4-[3-[(4-iodophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 22127509

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[3-[methoxy(naphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-[[4-[3-[methoxy(naphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-phenyl-1,2-oxazole (CID 70095116) is 5-[[4-[3-[methoxy(naphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-[[4-[3-[methoxy(naphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-[[4-[3-[methoxy(naphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-phenyl-1,2-oxazole is COC(OC1CNCCC1c1ccc(OCc2cc(-c3ccccc3)no2)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 5-[[4-[3-[methoxy(naphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-phenyl-1,2-oxazole?
The InChIKey is GWYXFQKBXDNWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N2O4/c1-36-33(27-12-11-23-7-5-6-10-26(23)19-27)38-32-21-34-18-17-30(32)24-13-15-28(16-14-24)37-22-29-20-31(35-39-29)25-8-3-2-4-9-25/h2-16,19-20,30,32-34H,17-18,21-22H2,1H3.
What are the key properties of 5-[[4-[3-[methoxy(naphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-phenyl-1,2-oxazole?
5-[[4-[3-[methoxy(naphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-phenyl-1,2-oxazole has a molecular weight of 520.63 g/mol, XLogP of 6.88, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[3-[methoxy(naphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 70095116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).