4-[4-(3,4-dimethoxyphenyl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol

C18H17NO5 — CID 135650271

IUPAC4-[4-(3,4-dimethoxyphenyl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol
SMILESCOc1ccc(-c2c(C)noc2-c2ccc(O)cc2O)cc1OC
InChIInChI=1S/C18H17NO5/c1-10-17(11-4-7-15(22-2)16(8-11)23-3)18(24-19-10)13-6-5-12(20)9-14(13)21/h4-9,20-21H,1-3H3
InChIKeyFPHXKTGHJBMXEA-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.75
Rot. Bonds4

About 4-[4-(3,4-dimethoxyphenyl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol

4-[4-(3,4-dimethoxyphenyl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol (PubChem CID 135650271) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 4-[4-(3,4-dimethoxyphenyl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[4-(3,4-dimethoxyphenyl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol
PubChem CID135650271
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name4-[4-(3,4-dimethoxyphenyl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol
SMILESCOc1ccc(-c2c(C)noc2-c2ccc(O)cc2O)cc1OC
InChIInChI=1S/C18H17NO5/c1-10-17(11-4-7-15(22-2)16(8-11)23-3)18(24-19-10)13-6-5-12(20)9-14(13)21/h4-9,20-21H,1-3H3
InChIKeyFPHXKTGHJBMXEA-UHFFFAOYSA-N
XLogP3.75
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]benzene-1,3-diol;molecular hydrogen
CID 167674338
4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
CID 888681
4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol
CID 53220724
5-methoxy-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-4-phenylphenol
CID 142932039
4-ethyl-5-methoxy-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol
CID 854607
4-chloro-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol
CID 143777991
[3-hydroxy-4-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenyl]oxidanium
CID 155722733
5-[(4-fluorophenyl)methoxy]-2-[4-(2-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol
CID 135652684
4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole
CID 19585869
4-[4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol
CID 163240753
4-(4-methoxy-3-methylphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82079241
4-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole
CID 151726229

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dimethoxyphenyl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol?
The IUPAC name of 4-[4-(3,4-dimethoxyphenyl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol (CID 135650271) is 4-[4-(3,4-dimethoxyphenyl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[4-(3,4-dimethoxyphenyl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 4-[4-(3,4-dimethoxyphenyl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol is COc1ccc(-c2c(C)noc2-c2ccc(O)cc2O)cc1OC.
What is the InChIKey of 4-[4-(3,4-dimethoxyphenyl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol?
The InChIKey is FPHXKTGHJBMXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-10-17(11-4-7-15(22-2)16(8-11)23-3)18(24-19-10)13-6-5-12(20)9-14(13)21/h4-9,20-21H,1-3H3.
What are the key properties of 4-[4-(3,4-dimethoxyphenyl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol?
4-[4-(3,4-dimethoxyphenyl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol has a molecular weight of 327.34 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dimethoxyphenyl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 135650271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).