2-methoxy-5-[2-methyl-5-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]phenol

C20H21NO6 — CID 11046906

IUPAC2-methoxy-5-[2-methyl-5-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]phenol
SMILESCOc1ccc(-c2nc(C)oc2-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C20H21NO6/c1-11-21-18(12-6-7-15(23-2)14(22)8-12)19(27-11)13-9-16(24-3)20(26-5)17(10-13)25-4/h6-10,22H,1-5H3
InChIKeyFROJUOATHRAAOX-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.06
Rot. Bonds6

About 2-methoxy-5-[2-methyl-5-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]phenol

2-methoxy-5-[2-methyl-5-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]phenol (PubChem CID 11046906) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-methoxy-5-[2-methyl-5-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[2-methyl-5-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]phenol
PubChem CID11046906
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name2-methoxy-5-[2-methyl-5-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]phenol
SMILESCOc1ccc(-c2nc(C)oc2-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C20H21NO6/c1-11-21-18(12-6-7-15(23-2)14(22)8-12)19(27-11)13-9-16(24-3)20(26-5)17(10-13)25-4/h6-10,22H,1-5H3
InChIKeyFROJUOATHRAAOX-UHFFFAOYSA-N
XLogP4.06
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-methyl-5-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]phenol?
The IUPAC name of 2-methoxy-5-[2-methyl-5-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]phenol (CID 11046906) is 2-methoxy-5-[2-methyl-5-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[2-methyl-5-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]phenol?
The canonical SMILES for 2-methoxy-5-[2-methyl-5-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]phenol is COc1ccc(-c2nc(C)oc2-c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 2-methoxy-5-[2-methyl-5-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]phenol?
The InChIKey is FROJUOATHRAAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-11-21-18(12-6-7-15(23-2)14(22)8-12)19(27-11)13-9-16(24-3)20(26-5)17(10-13)25-4/h6-10,22H,1-5H3.
What are the key properties of 2-methoxy-5-[2-methyl-5-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]phenol?
2-methoxy-5-[2-methyl-5-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]phenol has a molecular weight of 371.39 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-methyl-5-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]phenol is sourced from PubChem (CID 11046906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).