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

C19H19NO6 — CID 11337247

IUPAC2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol
SMILESCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)on2)cc1O
InChIInChI=1S/C19H19NO6/c1-22-15-6-5-11(7-14(15)21)13-10-16(26-20-13)12-8-17(23-2)19(25-4)18(9-12)24-3/h5-10,21H,1-4H3
InChIKeyQPMVNZHDVVLZST-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.75
Rot. Bonds6

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

2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol (PubChem CID 11337247) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol
PubChem CID11337247
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol
SMILESCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)on2)cc1O
InChIInChI=1S/C19H19NO6/c1-22-15-6-5-11(7-14(15)21)13-10-16(26-20-13)12-8-17(23-2)19(25-4)18(9-12)24-3/h5-10,21H,1-4H3
InChIKeyQPMVNZHDVVLZST-UHFFFAOYSA-N
XLogP3.75
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol?
The IUPAC name of 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol (CID 11337247) is 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol?
The canonical SMILES for 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol is COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)on2)cc1O.
What is the InChIKey of 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol?
The InChIKey is QPMVNZHDVVLZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-22-15-6-5-11(7-14(15)21)13-10-16(26-20-13)12-8-17(23-2)19(25-4)18(9-12)24-3/h5-10,21H,1-4H3.
What are the key properties of 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol?
2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol has a molecular weight of 357.36 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol is sourced from PubChem (CID 11337247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).