4-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]benzene-1,3-diol;molecular hydrogen

C17H17NO3 — CID 167674338

IUPAC4-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]benzene-1,3-diol;molecular hydrogen
SMILESCc1ccc(-c2c(C)noc2-c2ccc(O)cc2O)cc1.[H][H]
InChIInChI=1S/C17H15NO3.H2/c1-10-3-5-12(6-4-10)16-11(2)18-21-17(16)14-8-7-13(19)9-15(14)20;/h3-9,19-20H,1-2H3;1H
InChIKeyUPBUBIALOBQYIG-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.28
Rot. Bonds2

About 4-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]benzene-1,3-diol;molecular hydrogen

4-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]benzene-1,3-diol;molecular hydrogen (PubChem CID 167674338) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]benzene-1,3-diol;molecular hydrogen.

Molecular Properties

Compound Name4-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]benzene-1,3-diol;molecular hydrogen
PubChem CID167674338
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name4-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]benzene-1,3-diol;molecular hydrogen
SMILESCc1ccc(-c2c(C)noc2-c2ccc(O)cc2O)cc1.[H][H]
InChIInChI=1S/C17H15NO3.H2/c1-10-3-5-12(6-4-10)16-11(2)18-21-17(16)14-8-7-13(19)9-15(14)20;/h3-9,19-20H,1-2H3;1H
InChIKeyUPBUBIALOBQYIG-UHFFFAOYSA-N
XLogP4.28
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(3,4-dimethoxyphenyl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol
CID 135650271
[3-hydroxy-4-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenyl]oxidanium
CID 155722733
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
4-chloro-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol
CID 143777991
4-[4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol
CID 163240753
4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenol
CID 53219249
5-methoxy-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-4-phenylphenol
CID 142932039
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
2-[4-[4-[5-(2,4-dihydroxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]phenyl]phenyl]butanoic acid
CID 175714305
4-ethyl-5-methoxy-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol
CID 854607
3-(4-methylphenyl)-1,2-benzoxazol-5-ol
CID 105482853
4-[3-(2,4-dihydroxyphenyl)-5-methylphenyl]benzene-1,3-diol
CID 137451666

Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]benzene-1,3-diol;molecular hydrogen?
The IUPAC name of 4-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]benzene-1,3-diol;molecular hydrogen (CID 167674338) is 4-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]benzene-1,3-diol;molecular hydrogen.
What is the SMILES notation for 4-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]benzene-1,3-diol;molecular hydrogen?
The canonical SMILES for 4-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]benzene-1,3-diol;molecular hydrogen is Cc1ccc(-c2c(C)noc2-c2ccc(O)cc2O)cc1.[H][H].
What is the InChIKey of 4-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]benzene-1,3-diol;molecular hydrogen?
The InChIKey is UPBUBIALOBQYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3.H2/c1-10-3-5-12(6-4-10)16-11(2)18-21-17(16)14-8-7-13(19)9-15(14)20;/h3-9,19-20H,1-2H3;1H.
What are the key properties of 4-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]benzene-1,3-diol;molecular hydrogen?
4-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]benzene-1,3-diol;molecular hydrogen has a molecular weight of 283.33 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]benzene-1,3-diol;molecular hydrogen is sourced from PubChem (CID 167674338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).