methyl 3-[4-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methoxy]-2,6-dimethylphenyl]-2-ethoxypropanoate

C23H33NO5 — CID 69487617

IUPACmethyl 3-[4-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methoxy]-2,6-dimethylphenyl]-2-ethoxypropanoate
SMILESCCOC(Cc1c(C)cc(OCc2nc(C(C)(C)C)oc2C)cc1C)C(=O)OC
InChIInChI=1S/C23H33NO5/c1-9-27-20(21(25)26-8)12-18-14(2)10-17(11-15(18)3)28-13-19-16(4)29-22(24-19)23(5,6)7/h10-11,20H,9,12-13H2,1-8H3
InChIKeyNHLFTGBQVBDNHC-UHFFFAOYSA-N
MW403.52 g/mol
LogP4.60
Rot. Bonds8

About methyl 3-[4-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methoxy]-2,6-dimethylphenyl]-2-ethoxypropanoate

methyl 3-[4-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methoxy]-2,6-dimethylphenyl]-2-ethoxypropanoate (PubChem CID 69487617) has the molecular formula C23H33NO5 and a molecular weight of 403.52 g/mol. Its IUPAC name is methyl 3-[4-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methoxy]-2,6-dimethylphenyl]-2-ethoxypropanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methoxy]-2,6-dimethylphenyl]-2-ethoxypropanoate
PubChem CID69487617
Molecular FormulaC23H33NO5
Molecular Weight403.52 g/mol
Exact Mass403.24
IUPAC Namemethyl 3-[4-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methoxy]-2,6-dimethylphenyl]-2-ethoxypropanoate
SMILESCCOC(Cc1c(C)cc(OCc2nc(C(C)(C)C)oc2C)cc1C)C(=O)OC
InChIInChI=1S/C23H33NO5/c1-9-27-20(21(25)26-8)12-18-14(2)10-17(11-15(18)3)28-13-19-16(4)29-22(24-19)23(5,6)7/h10-11,20H,9,12-13H2,1-8H3
InChIKeyNHLFTGBQVBDNHC-UHFFFAOYSA-N
XLogP4.60
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methoxy]-2,6-dimethylphenyl]-2-ethoxypropanoate?
The IUPAC name of methyl 3-[4-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methoxy]-2,6-dimethylphenyl]-2-ethoxypropanoate (CID 69487617) is methyl 3-[4-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methoxy]-2,6-dimethylphenyl]-2-ethoxypropanoate.
What is the SMILES notation for methyl 3-[4-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methoxy]-2,6-dimethylphenyl]-2-ethoxypropanoate?
The canonical SMILES for methyl 3-[4-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methoxy]-2,6-dimethylphenyl]-2-ethoxypropanoate is CCOC(Cc1c(C)cc(OCc2nc(C(C)(C)C)oc2C)cc1C)C(=O)OC.
What is the InChIKey of methyl 3-[4-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methoxy]-2,6-dimethylphenyl]-2-ethoxypropanoate?
The InChIKey is NHLFTGBQVBDNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO5/c1-9-27-20(21(25)26-8)12-18-14(2)10-17(11-15(18)3)28-13-19-16(4)29-22(24-19)23(5,6)7/h10-11,20H,9,12-13H2,1-8H3.
What are the key properties of methyl 3-[4-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methoxy]-2,6-dimethylphenyl]-2-ethoxypropanoate?
methyl 3-[4-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methoxy]-2,6-dimethylphenyl]-2-ethoxypropanoate has a molecular weight of 403.52 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methoxy]-2,6-dimethylphenyl]-2-ethoxypropanoate is sourced from PubChem (CID 69487617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).