2-[1-(3,5-difluorophenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(furan-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(3-fluoro-4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one

C102H86F10N14O9 — CID 159461125

IUPAC2-[1-(3,5-difluorophenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(furan-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(3-fluoro-4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one
SMILESCc1ccc(CCN2C(=O)COC2c2cn(-c3cc(F)cc(F)c3)nc2-c2cc[nH]c2)cc1.Cc1ccc(CCN2C(=O)COC2c2cn(-c3cc(F)cc(F)c3)nc2-c2cc[nH]c2)cc1F.Cc1ccc(CCN2C(=O)COC2c2cn(-c3cc(F)cc(F)c3)nc2-c2ccc(F)cc2)cc1.Cc1ccc(CCN2C(=O)COC2c2cn(-c3cc(F)cc(F)c3)nc2-c2ccoc2)cc1
InChIInChI=1S/C27H22F3N3O2.C25H21F3N4O2.C25H22F2N4O2.C25H21F2N3O3/c1-17-2-4-18(5-3-17)10-11-32-25(34)16-35-27(32)24-15-33(23-13-21(29)12-22(30)14-23)31-26(24)19-6-8-20(28)9-7-19;1-15-2-3-16(8-22(15)28)5-7-31-23(33)14-34-25(31)21-13-32(20-10-18(26)9-19(27)11-20)30-24(21)17-4-6-29-12-17;1-16-2-4-17(5-3-16)7-9-30-23(32)15-33-25(30)22-14-31(21-11-19(26)10-20(27)12-21)29-24(22)18-6-8-28-13-18;1-16-2-4-17(5-3-16)6-8-29-23(31)15-33-25(29)22-13-30(21-11-19(26)10-20(27)12-21)28-24(22)18-7-9-32-14-18/h2-9,12-15,27H,10-11,16H2,1H3;2-4,6,8-13,25,29H,5,7,14H2,1H3;2-6,8,10-14,25,28H,7,9,15H2,1H3;2-5,7,9-14,25H,6,8,15H2,1H3
InChIKeyLUPJDLBPPBJVIW-UHFFFAOYSA-N
MW1841.88 g/mol
LogP19.43
Rot. Bonds24

About 2-[1-(3,5-difluorophenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(furan-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(3-fluoro-4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one

2-[1-(3,5-difluorophenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(furan-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(3-fluoro-4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one (PubChem CID 159461125) has the molecular formula C102H86F10N14O9 and a molecular weight of 1841.88 g/mol. Its IUPAC name is 2-[1-(3,5-difluorophenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(furan-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(3-fluoro-4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name2-[1-(3,5-difluorophenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(furan-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(3-fluoro-4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one
PubChem CID159461125
Molecular FormulaC102H86F10N14O9
Molecular Weight1841.88 g/mol
Exact Mass1840.65
IUPAC Name2-[1-(3,5-difluorophenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(furan-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(3-fluoro-4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one
SMILESCc1ccc(CCN2C(=O)COC2c2cn(-c3cc(F)cc(F)c3)nc2-c2cc[nH]c2)cc1.Cc1ccc(CCN2C(=O)COC2c2cn(-c3cc(F)cc(F)c3)nc2-c2cc[nH]c2)cc1F.Cc1ccc(CCN2C(=O)COC2c2cn(-c3cc(F)cc(F)c3)nc2-c2ccc(F)cc2)cc1.Cc1ccc(CCN2C(=O)COC2c2cn(-c3cc(F)cc(F)c3)nc2-c2ccoc2)cc1
InChIInChI=1S/C27H22F3N3O2.C25H21F3N4O2.C25H22F2N4O2.C25H21F2N3O3/c1-17-2-4-18(5-3-17)10-11-32-25(34)16-35-27(32)24-15-33(23-13-21(29)12-22(30)14-23)31-26(24)19-6-8-20(28)9-7-19;1-15-2-3-16(8-22(15)28)5-7-31-23(33)14-34-25(31)21-13-32(20-10-18(26)9-19(27)11-20)30-24(21)17-4-6-29-12-17;1-16-2-4-17(5-3-16)7-9-30-23(32)15-33-25(30)22-14-31(21-11-19(26)10-20(27)12-21)29-24(22)18-6-8-28-13-18;1-16-2-4-17(5-3-16)6-8-29-23(31)15-33-25(29)22-13-30(21-11-19(26)10-20(27)12-21)28-24(22)18-7-9-32-14-18/h2-9,12-15,27H,10-11,16H2,1H3;2-4,6,8-13,25,29H,5,7,14H2,1H3;2-6,8,10-14,25,28H,7,9,15H2,1H3;2-5,7,9-14,25H,6,8,15H2,1H3
InChIKeyLUPJDLBPPBJVIW-UHFFFAOYSA-N
XLogP19.43
TPSA234.16 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001841.88
LogP ≤ 519.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze 2-[1-(3,5-difluorophenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(furan-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(3-fluoro-4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-difluorophenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(furan-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(3-fluoro-4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one?
The IUPAC name of 2-[1-(3,5-difluorophenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(furan-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(3-fluoro-4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one (CID 159461125) is 2-[1-(3,5-difluorophenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(furan-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(3-fluoro-4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one.
What is the SMILES notation for 2-[1-(3,5-difluorophenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(furan-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(3-fluoro-4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one?
The canonical SMILES for 2-[1-(3,5-difluorophenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(furan-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(3-fluoro-4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one is Cc1ccc(CCN2C(=O)COC2c2cn(-c3cc(F)cc(F)c3)nc2-c2cc[nH]c2)cc1.Cc1ccc(CCN2C(=O)COC2c2cn(-c3cc(F)cc(F)c3)nc2-c2cc[nH]c2)cc1F.Cc1ccc(CCN2C(=O)COC2c2cn(-c3cc(F)cc(F)c3)nc2-c2ccc(F)cc2)cc1.Cc1ccc(CCN2C(=O)COC2c2cn(-c3cc(F)cc(F)c3)nc2-c2ccoc2)cc1.
What is the InChIKey of 2-[1-(3,5-difluorophenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(furan-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(3-fluoro-4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one?
The InChIKey is LUPJDLBPPBJVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N3O2.C25H21F3N4O2.C25H22F2N4O2.C25H21F2N3O3/c1-17-2-4-18(5-3-17)10-11-32-25(34)16-35-27(32)24-15-33(23-13-21(29)12-22(30)14-23)31-26(24)19-6-8-20(28)9-7-19;1-15-2-3-16(8-22(15)28)5-7-31-23(33)14-34-25(31)21-13-32(20-10-18(26)9-19(27)11-20)30-24(21)17-4-6-29-12-17;1-16-2-4-17(5-3-16)7-9-30-23(32)15-33-25(30)22-14-31(21-11-19(26)10-20(27)12-21)29-24(22)18-6-8-28-13-18;1-16-2-4-17(5-3-16)6-8-29-23(31)15-33-25(29)22-13-30(21-11-19(26)10-20(27)12-21)28-24(22)18-7-9-32-14-18/h2-9,12-15,27H,10-11,16H2,1H3;2-4,6,8-13,25,29H,5,7,14H2,1H3;2-6,8,10-14,25,28H,7,9,15H2,1H3;2-5,7,9-14,25H,6,8,15H2,1H3.
What are the key properties of 2-[1-(3,5-difluorophenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(furan-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(3-fluoro-4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one?
2-[1-(3,5-difluorophenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(furan-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(3-fluoro-4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one has a molecular weight of 1841.88 g/mol, XLogP of 19.43, 24 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-difluorophenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(furan-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(3-fluoro-4-methylphenyl)ethyl]-1,3-oxazolidin-4-one;2-[1-(3,5-difluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-methylphenyl)ethyl]-1,3-oxazolidin-4-one is sourced from PubChem (CID 159461125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).