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

C19H19NO6 — CID 91148701

IUPAC2-methoxy-5-[5-(2,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol
SMILESCOc1ccc(-c2cc(-c3cc(OC)c(OC)cc3OC)on2)cc1O
InChIInChI=1S/C19H19NO6/c1-22-15-6-5-11(7-14(15)21)13-9-17(26-20-13)12-8-18(24-3)19(25-4)10-16(12)23-2/h5-10,21H,1-4H3
InChIKeyABTQUMSGUHDJLX-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.75
Rot. Bonds6

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

2-methoxy-5-[5-(2,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol (PubChem CID 91148701) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-methoxy-5-[5-(2,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[5-(2,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol
PubChem CID91148701
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name2-methoxy-5-[5-(2,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol
SMILESCOc1ccc(-c2cc(-c3cc(OC)c(OC)cc3OC)on2)cc1O
InChIInChI=1S/C19H19NO6/c1-22-15-6-5-11(7-14(15)21)13-9-17(26-20-13)12-8-18(24-3)19(25-4)10-16(12)23-2/h5-10,21H,1-4H3
InChIKeyABTQUMSGUHDJLX-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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Related Compounds

2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol
CID 11337247
2-methoxy-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82008572
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
CID 79732954
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-1,2-oxazol-5-yl]-3-methoxybenzenecarboximidamide;dihydrochloride
CID 136609914
5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 79733049
3,5-bis(2,4-dimethoxyphenyl)-1,2-oxazole
CID 19586357
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
CID 79732351
3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
5-(4-bromo-2-hydroxy-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136928752
5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 79735633
2-methoxy-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 79732855
5-(2-chloropyrimidin-4-yl)-2-methoxyphenol
CID 91620392

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[5-(2,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol?
The IUPAC name of 2-methoxy-5-[5-(2,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol (CID 91148701) is 2-methoxy-5-[5-(2,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[5-(2,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol?
The canonical SMILES for 2-methoxy-5-[5-(2,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol is COc1ccc(-c2cc(-c3cc(OC)c(OC)cc3OC)on2)cc1O.
What is the InChIKey of 2-methoxy-5-[5-(2,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol?
The InChIKey is ABTQUMSGUHDJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-22-15-6-5-11(7-14(15)21)13-9-17(26-20-13)12-8-18(24-3)19(25-4)10-16(12)23-2/h5-10,21H,1-4H3.
What are the key properties of 2-methoxy-5-[5-(2,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol?
2-methoxy-5-[5-(2,4,5-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-(2,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol is sourced from PubChem (CID 91148701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).