4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methylphenyl)-1,2-oxazol-3-yl]phenol;4-(5-pentyl-1,2-oxazol-3-yl)phenol;4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol;4-[5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]phenol;4-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]phenol

C107H83F7N8O16 — CID 158045241

IUPAC4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methylphenyl)-1,2-oxazol-3-yl]phenol;4-(5-pentyl-1,2-oxazol-3-yl)phenol;4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol;4-[5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]phenol;4-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]phenol
SMILESCCCCCc1cc(-c2ccc(O)cc2)no1.COc1ccc(-c2cc(-c3ccc(O)cc3)no2)cc1.Cc1ccc(-c2cc(-c3ccc(O)cc3)no2)cc1.Oc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)on2)cc1.Oc1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)on2)cc1.Oc1ccc(-c2cc(-c3cccc(F)c3)on2)cc1.Oc1ccc(-c2cc(-c3ccccn3)on2)cc1
InChIInChI=1S/C16H10F3NO3.C16H10F3NO2.C16H13NO3.C16H13NO2.C15H10FNO2.C14H10N2O2.C14H17NO2/c17-16(18,19)22-13-7-3-11(4-8-13)15-9-14(20-23-15)10-1-5-12(21)6-2-10;17-16(18,19)12-5-1-11(2-6-12)15-9-14(20-22-15)10-3-7-13(21)8-4-10;1-19-14-8-4-12(5-9-14)16-10-15(17-20-16)11-2-6-13(18)7-3-11;1-11-2-4-13(5-3-11)16-10-15(17-19-16)12-6-8-14(18)9-7-12;16-12-3-1-2-11(8-12)15-9-14(17-19-15)10-4-6-13(18)7-5-10;17-11-6-4-10(5-7-11)13-9-14(18-16-13)12-3-1-2-8-15-12;1-2-3-4-5-13-10-14(15-17-13)11-6-8-12(16)9-7-11/h1-9,21H;1-9,21H;2-10,18H,1H3;2-10,18H,1H3;1-9,18H;1-9,17H;6-10,16H,2-5H2,1H3
InChIKeyFIVDINUCUIBBQF-UHFFFAOYSA-N
MW1869.87 g/mol
LogP27.83
Rot. Bonds19

About 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methylphenyl)-1,2-oxazol-3-yl]phenol;4-(5-pentyl-1,2-oxazol-3-yl)phenol;4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol;4-[5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]phenol;4-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]phenol

4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methylphenyl)-1,2-oxazol-3-yl]phenol;4-(5-pentyl-1,2-oxazol-3-yl)phenol;4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol;4-[5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]phenol;4-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]phenol (PubChem CID 158045241) has the molecular formula C107H83F7N8O16 and a molecular weight of 1869.87 g/mol. Its IUPAC name is 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methylphenyl)-1,2-oxazol-3-yl]phenol;4-(5-pentyl-1,2-oxazol-3-yl)phenol;4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol;4-[5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]phenol;4-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methylphenyl)-1,2-oxazol-3-yl]phenol;4-(5-pentyl-1,2-oxazol-3-yl)phenol;4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol;4-[5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]phenol;4-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]phenol
PubChem CID158045241
Molecular FormulaC107H83F7N8O16
Molecular Weight1869.87 g/mol
Exact Mass1868.58
IUPAC Name4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methylphenyl)-1,2-oxazol-3-yl]phenol;4-(5-pentyl-1,2-oxazol-3-yl)phenol;4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol;4-[5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]phenol;4-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]phenol
SMILESCCCCCc1cc(-c2ccc(O)cc2)no1.COc1ccc(-c2cc(-c3ccc(O)cc3)no2)cc1.Cc1ccc(-c2cc(-c3ccc(O)cc3)no2)cc1.Oc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)on2)cc1.Oc1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)on2)cc1.Oc1ccc(-c2cc(-c3cccc(F)c3)on2)cc1.Oc1ccc(-c2cc(-c3ccccn3)on2)cc1
InChIInChI=1S/C16H10F3NO3.C16H10F3NO2.C16H13NO3.C16H13NO2.C15H10FNO2.C14H10N2O2.C14H17NO2/c17-16(18,19)22-13-7-3-11(4-8-13)15-9-14(20-23-15)10-1-5-12(21)6-2-10;17-16(18,19)12-5-1-11(2-6-12)15-9-14(20-22-15)10-3-7-13(21)8-4-10;1-19-14-8-4-12(5-9-14)16-10-15(17-20-16)11-2-6-13(18)7-3-11;1-11-2-4-13(5-3-11)16-10-15(17-19-16)12-6-8-14(18)9-7-12;16-12-3-1-2-11(8-12)15-9-14(17-19-15)10-4-6-13(18)7-5-10;17-11-6-4-10(5-7-11)13-9-14(18-16-13)12-3-1-2-8-15-12;1-2-3-4-5-13-10-14(15-17-13)11-6-8-12(16)9-7-11/h1-9,21H;1-9,21H;2-10,18H,1H3;2-10,18H,1H3;1-9,18H;1-9,17H;6-10,16H,2-5H2,1H3
InChIKeyFIVDINUCUIBBQF-UHFFFAOYSA-N
XLogP27.83
TPSA355.17 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001869.87
LogP ≤ 527.83
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methylphenyl)-1,2-oxazol-3-yl]phenol;4-(5-pentyl-1,2-oxazol-3-yl)phenol;4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol;4-[5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]phenol;4-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]phenol with MolForge

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Related Compounds

5-[5-[3-(4-Cyclopropyloxyphenyl)cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[4-[3-(4-fluorophenyl)cyclobutyl]oxyphenyl]-3-methyl-1,2-oxazole;5-[6-[3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxy-3-pyridinyl]-3-methyl-1,2-oxazole;3-methyl-5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole;3-methyl-5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole
CID 157104308
3-[3-(2-Methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one
CID 160409426
3-[3-(4-Tert-butylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one
CID 160501743
3-[3-(4-Tert-butylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one
CID 160691685
3-[3-(4-Ethylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;bis(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one);1-pyridin-3-yl-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one
CID 161559289
3-[3-(2-Fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;3-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1-pyridin-3-ylpropan-1-one;1-pyridin-3-yl-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-pyridin-3-yl-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one
CID 162262818
[3-(2,6-Difluorophenyl)-5-(4-hydroxyphenyl)-1,2-oxazol-4-yl]-[4-(1-propylazetidin-3-yl)oxyphenyl]methanone;[5-(4-hydroxyphenyl)-3-(2-methylphenyl)-1,2-oxazol-4-yl]-[4-(1-propylazetidin-3-yl)oxyphenyl]methanone;[5-(4-hydroxyphenyl)-3-(3-methyl-2-pyridinyl)-1,2-oxazol-4-yl]-[4-(1-propylazetidin-3-yl)oxyphenyl]methanone;[5-(4-hydroxyphenyl)-3-(1-methylpyrrol-2-yl)-1,2-oxazol-4-yl]-[4-(1-propylazetidin-3-yl)oxyphenyl]methanone
CID 157854838

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methylphenyl)-1,2-oxazol-3-yl]phenol;4-(5-pentyl-1,2-oxazol-3-yl)phenol;4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol;4-[5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]phenol;4-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]phenol?
The IUPAC name of 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methylphenyl)-1,2-oxazol-3-yl]phenol;4-(5-pentyl-1,2-oxazol-3-yl)phenol;4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol;4-[5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]phenol;4-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]phenol (CID 158045241) is 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methylphenyl)-1,2-oxazol-3-yl]phenol;4-(5-pentyl-1,2-oxazol-3-yl)phenol;4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol;4-[5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]phenol;4-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methylphenyl)-1,2-oxazol-3-yl]phenol;4-(5-pentyl-1,2-oxazol-3-yl)phenol;4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol;4-[5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]phenol;4-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]phenol?
The canonical SMILES for 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methylphenyl)-1,2-oxazol-3-yl]phenol;4-(5-pentyl-1,2-oxazol-3-yl)phenol;4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol;4-[5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]phenol;4-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]phenol is CCCCCc1cc(-c2ccc(O)cc2)no1.COc1ccc(-c2cc(-c3ccc(O)cc3)no2)cc1.Cc1ccc(-c2cc(-c3ccc(O)cc3)no2)cc1.Oc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)on2)cc1.Oc1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)on2)cc1.Oc1ccc(-c2cc(-c3cccc(F)c3)on2)cc1.Oc1ccc(-c2cc(-c3ccccn3)on2)cc1.
What is the InChIKey of 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methylphenyl)-1,2-oxazol-3-yl]phenol;4-(5-pentyl-1,2-oxazol-3-yl)phenol;4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol;4-[5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]phenol;4-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]phenol?
The InChIKey is FIVDINUCUIBBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO3.C16H10F3NO2.C16H13NO3.C16H13NO2.C15H10FNO2.C14H10N2O2.C14H17NO2/c17-16(18,19)22-13-7-3-11(4-8-13)15-9-14(20-23-15)10-1-5-12(21)6-2-10;17-16(18,19)12-5-1-11(2-6-12)15-9-14(20-22-15)10-3-7-13(21)8-4-10;1-19-14-8-4-12(5-9-14)16-10-15(17-20-16)11-2-6-13(18)7-3-11;1-11-2-4-13(5-3-11)16-10-15(17-19-16)12-6-8-14(18)9-7-12;16-12-3-1-2-11(8-12)15-9-14(17-19-15)10-4-6-13(18)7-5-10;17-11-6-4-10(5-7-11)13-9-14(18-16-13)12-3-1-2-8-15-12;1-2-3-4-5-13-10-14(15-17-13)11-6-8-12(16)9-7-11/h1-9,21H;1-9,21H;2-10,18H,1H3;2-10,18H,1H3;1-9,18H;1-9,17H;6-10,16H,2-5H2,1H3.
What are the key properties of 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methylphenyl)-1,2-oxazol-3-yl]phenol;4-(5-pentyl-1,2-oxazol-3-yl)phenol;4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol;4-[5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]phenol;4-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]phenol?
4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methylphenyl)-1,2-oxazol-3-yl]phenol;4-(5-pentyl-1,2-oxazol-3-yl)phenol;4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol;4-[5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]phenol;4-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]phenol has a molecular weight of 1869.87 g/mol, XLogP of 27.83, 19 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenol;4-[5-(4-methylphenyl)-1,2-oxazol-3-yl]phenol;4-(5-pentyl-1,2-oxazol-3-yl)phenol;4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol;4-[5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]phenol;4-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]phenol is sourced from PubChem (CID 158045241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).