5-[6-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]naphthalen-2-yl]oxypentan-1-ol

C24H27N3O3 — CID 142479347

IUPAC5-[6-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]naphthalen-2-yl]oxypentan-1-ol
SMILESCCc1nccn1Cc1cc(-c2ccc3cc(OCCCCCO)ccc3c2)on1
InChIInChI=1S/C24H27N3O3/c1-2-24-25-10-11-27(24)17-21-16-23(30-26-21)20-7-6-19-15-22(9-8-18(19)14-20)29-13-5-3-4-12-28/h6-11,14-16,28H,2-5,12-13,17H2,1H3
InChIKeySHXVLASXCPSEMP-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.84
Rot. Bonds10

About 5-[6-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]naphthalen-2-yl]oxypentan-1-ol

5-[6-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]naphthalen-2-yl]oxypentan-1-ol (PubChem CID 142479347) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-[6-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]naphthalen-2-yl]oxypentan-1-ol.

Molecular Properties

Compound Name5-[6-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]naphthalen-2-yl]oxypentan-1-ol
PubChem CID142479347
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name5-[6-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]naphthalen-2-yl]oxypentan-1-ol
SMILESCCc1nccn1Cc1cc(-c2ccc3cc(OCCCCCO)ccc3c2)on1
InChIInChI=1S/C24H27N3O3/c1-2-24-25-10-11-27(24)17-21-16-23(30-26-21)20-7-6-19-15-22(9-8-18(19)14-20)29-13-5-3-4-12-28/h6-11,14-16,28H,2-5,12-13,17H2,1H3
InChIKeySHXVLASXCPSEMP-UHFFFAOYSA-N
XLogP4.84
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.84
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 5-[6-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]naphthalen-2-yl]oxypentan-1-ol?
The IUPAC name of 5-[6-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]naphthalen-2-yl]oxypentan-1-ol (CID 142479347) is 5-[6-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]naphthalen-2-yl]oxypentan-1-ol.
What is the SMILES notation for 5-[6-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]naphthalen-2-yl]oxypentan-1-ol?
The canonical SMILES for 5-[6-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]naphthalen-2-yl]oxypentan-1-ol is CCc1nccn1Cc1cc(-c2ccc3cc(OCCCCCO)ccc3c2)on1.
What is the InChIKey of 5-[6-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]naphthalen-2-yl]oxypentan-1-ol?
The InChIKey is SHXVLASXCPSEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-2-24-25-10-11-27(24)17-21-16-23(30-26-21)20-7-6-19-15-22(9-8-18(19)14-20)29-13-5-3-4-12-28/h6-11,14-16,28H,2-5,12-13,17H2,1H3.
What are the key properties of 5-[6-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]naphthalen-2-yl]oxypentan-1-ol?
5-[6-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]naphthalen-2-yl]oxypentan-1-ol has a molecular weight of 405.50 g/mol, XLogP of 4.84, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]naphthalen-2-yl]oxypentan-1-ol is sourced from PubChem (CID 142479347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).