4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-6-propan-2-ylbenzene-1,3-diol

C18H16FNO3 — CID 68898509

IUPAC4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-6-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1cc(-c2ocnc2-c2ccc(F)cc2)c(O)cc1O
InChIInChI=1S/C18H16FNO3/c1-10(2)13-7-14(16(22)8-15(13)21)18-17(20-9-23-18)11-3-5-12(19)6-4-11/h3-10,21-22H,1-2H3
InChIKeyCNZGDKQUUYDDIQ-UHFFFAOYSA-N
MW313.33 g/mol
LogP4.68
Rot. Bonds3

About 4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-6-propan-2-ylbenzene-1,3-diol

4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-6-propan-2-ylbenzene-1,3-diol (PubChem CID 68898509) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-6-propan-2-ylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-6-propan-2-ylbenzene-1,3-diol
PubChem CID68898509
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-6-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1cc(-c2ocnc2-c2ccc(F)cc2)c(O)cc1O
InChIInChI=1S/C18H16FNO3/c1-10(2)13-7-14(16(22)8-15(13)21)18-17(20-9-23-18)11-3-5-12(19)6-4-11/h3-10,21-22H,1-2H3
InChIKeyCNZGDKQUUYDDIQ-UHFFFAOYSA-N
XLogP4.68
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-5-[4-(3,4,5-trimethoxy-phenyl)-oxazol-5-yl]-phenol
CID 11783258
7-Hydroxy-3-[4-methoxy-7-(3-methylbut-2-enyl)-1,3-benzoxazol-6-yl]chromen-4-one
CID 163040188
N-[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]propyl]-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 172446118
N-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]butyl]-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 172454584
N-[4-[(3,5-ditert-butyl-4-hydroxybenzoyl)amino]butyl]-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 172460729
N-[3-[(3,5-ditert-butyl-4-hydroxybenzoyl)amino]propyl]-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 172465590
1,1,1,3,3,3-Hexafluoro-2-[3-methyl-4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propan-2-ol
CID 11555330
1,1,1,3,3,3-Hexafluoro-2-[3-methyl-4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propan-2-ol
CID 11597775
1,1,1,3,3,3-Hexafluoro-2-[3-methyl-4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propan-2-ol
CID 11683996
1,1,1,3,3,3-Hexafluoro-2-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methylphenyl]propan-2-ol
CID 11719878
7-(2-{2-[3-Fluoro-5-(trifluoromethyl)phenyl] (1,3-oxazol-5-yl)}ethoxy)-3-(4-hydroxyphenyl)chromen-4-one
CID 24960623
4-[5-(4-Fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
CID 42623601

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-6-propan-2-ylbenzene-1,3-diol?
The IUPAC name of 4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-6-propan-2-ylbenzene-1,3-diol (CID 68898509) is 4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-6-propan-2-ylbenzene-1,3-diol.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-6-propan-2-ylbenzene-1,3-diol?
The canonical SMILES for 4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-6-propan-2-ylbenzene-1,3-diol is CC(C)c1cc(-c2ocnc2-c2ccc(F)cc2)c(O)cc1O.
What is the InChIKey of 4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-6-propan-2-ylbenzene-1,3-diol?
The InChIKey is CNZGDKQUUYDDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-10(2)13-7-14(16(22)8-15(13)21)18-17(20-9-23-18)11-3-5-12(19)6-4-11/h3-10,21-22H,1-2H3.
What are the key properties of 4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-6-propan-2-ylbenzene-1,3-diol?
4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-6-propan-2-ylbenzene-1,3-diol has a molecular weight of 313.33 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-6-propan-2-ylbenzene-1,3-diol is sourced from PubChem (CID 68898509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).