[5-[[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]methyl]-1,3-oxazol-4-yl]methanol

C23H27NO6 — CID 23147296

IUPAC[5-[[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]methyl]-1,3-oxazol-4-yl]methanol
SMILESCCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1Cc1ocnc1CO
InChIInChI=1S/C23H27NO6/c1-4-17-18(10-21-19(12-25)24-13-28-21)23(16-8-6-5-7-9-16)22(30-15-27-3)11-20(17)29-14-26-2/h5-9,11,13,25H,4,10,12,14-15H2,1-3H3
InChIKeyFHWJWUXDAQWAJR-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.95
Rot. Bonds11

About [5-[[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]methyl]-1,3-oxazol-4-yl]methanol

[5-[[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]methyl]-1,3-oxazol-4-yl]methanol (PubChem CID 23147296) has the molecular formula C23H27NO6 and a molecular weight of 413.47 g/mol. Its IUPAC name is [5-[[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]methyl]-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]methyl]-1,3-oxazol-4-yl]methanol
PubChem CID23147296
Molecular FormulaC23H27NO6
Molecular Weight413.47 g/mol
Exact Mass413.18
IUPAC Name[5-[[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]methyl]-1,3-oxazol-4-yl]methanol
SMILESCCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1Cc1ocnc1CO
InChIInChI=1S/C23H27NO6/c1-4-17-18(10-21-19(12-25)24-13-28-21)23(16-8-6-5-7-9-16)22(30-15-27-3)11-20(17)29-14-26-2/h5-9,11,13,25H,4,10,12,14-15H2,1-3H3
InChIKeyFHWJWUXDAQWAJR-UHFFFAOYSA-N
XLogP3.95
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]methyl]-1,3-oxazol-4-yl]methanol?
The IUPAC name of [5-[[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]methyl]-1,3-oxazol-4-yl]methanol (CID 23147296) is [5-[[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]methyl]-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [5-[[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]methyl]-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [5-[[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]methyl]-1,3-oxazol-4-yl]methanol is CCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1Cc1ocnc1CO.
What is the InChIKey of [5-[[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]methyl]-1,3-oxazol-4-yl]methanol?
The InChIKey is FHWJWUXDAQWAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO6/c1-4-17-18(10-21-19(12-25)24-13-28-21)23(16-8-6-5-7-9-16)22(30-15-27-3)11-20(17)29-14-26-2/h5-9,11,13,25H,4,10,12,14-15H2,1-3H3.
What are the key properties of [5-[[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]methyl]-1,3-oxazol-4-yl]methanol?
[5-[[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]methyl]-1,3-oxazol-4-yl]methanol has a molecular weight of 413.47 g/mol, XLogP of 3.95, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]methyl]-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 23147296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).