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

C24H29NO6 — CID 23147113

IUPAC[5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazol-4-yl]methanol
SMILESCCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCc1ocnc1CO
InChIInChI=1S/C24H29NO6/c1-4-18-19(10-11-21-20(13-26)25-14-29-21)24(17-8-6-5-7-9-17)23(31-16-28-3)12-22(18)30-15-27-2/h5-9,12,14,26H,4,10-11,13,15-16H2,1-3H3
InChIKeyIRMSGTHBOKCLJZ-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.15
Rot. Bonds12

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

[5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazol-4-yl]methanol (PubChem CID 23147113) has the molecular formula C24H29NO6 and a molecular weight of 427.50 g/mol. Its IUPAC name is [5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazol-4-yl]methanol
PubChem CID23147113
Molecular FormulaC24H29NO6
Molecular Weight427.50 g/mol
Exact Mass427.20
IUPAC Name[5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazol-4-yl]methanol
SMILESCCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCc1ocnc1CO
InChIInChI=1S/C24H29NO6/c1-4-18-19(10-11-21-20(13-26)25-14-29-21)24(17-8-6-5-7-9-17)23(31-16-28-3)12-22(18)30-15-27-2/h5-9,12,14,26H,4,10-11,13,15-16H2,1-3H3
InChIKeyIRMSGTHBOKCLJZ-UHFFFAOYSA-N
XLogP4.15
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.15
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-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazol-4-yl]methanol?
The IUPAC name of [5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazol-4-yl]methanol (CID 23147113) is [5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazol-4-yl]methanol is CCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCc1ocnc1CO.
What is the InChIKey of [5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazol-4-yl]methanol?
The InChIKey is IRMSGTHBOKCLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO6/c1-4-18-19(10-11-21-20(13-26)25-14-29-21)24(17-8-6-5-7-9-17)23(31-16-28-3)12-22(18)30-15-27-2/h5-9,12,14,26H,4,10-11,13,15-16H2,1-3H3.
What are the key properties of [5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazol-4-yl]methanol?
[5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazol-4-yl]methanol has a molecular weight of 427.50 g/mol, XLogP of 4.15, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 23147113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).