4-(4-methoxyphenyl)-5-[4-(2-phenylmethoxyethoxy)phenyl]-2-piperidin-4-yl-1,3-oxazole

C30H32N2O4 — CID 59486937

IUPAC4-(4-methoxyphenyl)-5-[4-(2-phenylmethoxyethoxy)phenyl]-2-piperidin-4-yl-1,3-oxazole
SMILESCOc1ccc(-c2nc(C3CCNCC3)oc2-c2ccc(OCCOCc3ccccc3)cc2)cc1
InChIInChI=1S/C30H32N2O4/c1-33-26-11-7-23(8-12-26)28-29(36-30(32-28)25-15-17-31-18-16-25)24-9-13-27(14-10-24)35-20-19-34-21-22-5-3-2-4-6-22/h2-14,25,31H,15-21H2,1H3
InChIKeyCYBKGGSDQKLDNQ-UHFFFAOYSA-N
MW484.60 g/mol
LogP6.08
Rot. Bonds10

About 4-(4-methoxyphenyl)-5-[4-(2-phenylmethoxyethoxy)phenyl]-2-piperidin-4-yl-1,3-oxazole

4-(4-methoxyphenyl)-5-[4-(2-phenylmethoxyethoxy)phenyl]-2-piperidin-4-yl-1,3-oxazole (PubChem CID 59486937) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-[4-(2-phenylmethoxyethoxy)phenyl]-2-piperidin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-[4-(2-phenylmethoxyethoxy)phenyl]-2-piperidin-4-yl-1,3-oxazole
PubChem CID59486937
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC Name4-(4-methoxyphenyl)-5-[4-(2-phenylmethoxyethoxy)phenyl]-2-piperidin-4-yl-1,3-oxazole
SMILESCOc1ccc(-c2nc(C3CCNCC3)oc2-c2ccc(OCCOCc3ccccc3)cc2)cc1
InChIInChI=1S/C30H32N2O4/c1-33-26-11-7-23(8-12-26)28-29(36-30(32-28)25-15-17-31-18-16-25)24-9-13-27(14-10-24)35-20-19-34-21-22-5-3-2-4-6-22/h2-14,25,31H,15-21H2,1H3
InChIKeyCYBKGGSDQKLDNQ-UHFFFAOYSA-N
XLogP6.08
TPSA65.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-[4-(2-phenylmethoxyethoxy)phenyl]-2-piperidin-4-yl-1,3-oxazole?
The IUPAC name of 4-(4-methoxyphenyl)-5-[4-(2-phenylmethoxyethoxy)phenyl]-2-piperidin-4-yl-1,3-oxazole (CID 59486937) is 4-(4-methoxyphenyl)-5-[4-(2-phenylmethoxyethoxy)phenyl]-2-piperidin-4-yl-1,3-oxazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-[4-(2-phenylmethoxyethoxy)phenyl]-2-piperidin-4-yl-1,3-oxazole?
The canonical SMILES for 4-(4-methoxyphenyl)-5-[4-(2-phenylmethoxyethoxy)phenyl]-2-piperidin-4-yl-1,3-oxazole is COc1ccc(-c2nc(C3CCNCC3)oc2-c2ccc(OCCOCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-[4-(2-phenylmethoxyethoxy)phenyl]-2-piperidin-4-yl-1,3-oxazole?
The InChIKey is CYBKGGSDQKLDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4/c1-33-26-11-7-23(8-12-26)28-29(36-30(32-28)25-15-17-31-18-16-25)24-9-13-27(14-10-24)35-20-19-34-21-22-5-3-2-4-6-22/h2-14,25,31H,15-21H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-5-[4-(2-phenylmethoxyethoxy)phenyl]-2-piperidin-4-yl-1,3-oxazole?
4-(4-methoxyphenyl)-5-[4-(2-phenylmethoxyethoxy)phenyl]-2-piperidin-4-yl-1,3-oxazole has a molecular weight of 484.60 g/mol, XLogP of 6.08, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-[4-(2-phenylmethoxyethoxy)phenyl]-2-piperidin-4-yl-1,3-oxazole is sourced from PubChem (CID 59486937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).