(2R)-2-[1-(4-fluoro-3-methylphenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one

C27H23F2N3O3 — CID 71214596

IUPAC(2R)-2-[1-(4-fluoro-3-methylphenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one
SMILESCc1cc(-n2cc([C@H]3OCC(=O)N3CCc3ccc(O)cc3)c(-c3ccc(F)cc3)n2)ccc1F
InChIInChI=1S/C27H23F2N3O3/c1-17-14-21(8-11-24(17)29)32-15-23(26(30-32)19-4-6-20(28)7-5-19)27-31(25(34)16-35-27)13-12-18-2-9-22(33)10-3-18/h2-11,14-15,27,33H,12-13,16H2,1H3/t27-/m1/s1
InChIKeyZSCXWKVXQBZMPG-HHHXNRCGSA-N
MW475.50 g/mol
LogP4.93
Rot. Bonds6

About (2R)-2-[1-(4-fluoro-3-methylphenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one

(2R)-2-[1-(4-fluoro-3-methylphenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one (PubChem CID 71214596) has the molecular formula C27H23F2N3O3 and a molecular weight of 475.50 g/mol. Its IUPAC name is (2R)-2-[1-(4-fluoro-3-methylphenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(2R)-2-[1-(4-fluoro-3-methylphenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one
PubChem CID71214596
Molecular FormulaC27H23F2N3O3
Molecular Weight475.50 g/mol
Exact Mass475.17
IUPAC Name(2R)-2-[1-(4-fluoro-3-methylphenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one
SMILESCc1cc(-n2cc([C@H]3OCC(=O)N3CCc3ccc(O)cc3)c(-c3ccc(F)cc3)n2)ccc1F
InChIInChI=1S/C27H23F2N3O3/c1-17-14-21(8-11-24(17)29)32-15-23(26(30-32)19-4-6-20(28)7-5-19)27-31(25(34)16-35-27)13-12-18-2-9-22(33)10-3-18/h2-11,14-15,27,33H,12-13,16H2,1H3/t27-/m1/s1
InChIKeyZSCXWKVXQBZMPG-HHHXNRCGSA-N
XLogP4.93
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(4-fluoro-3-methylphenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one?
The IUPAC name of (2R)-2-[1-(4-fluoro-3-methylphenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one (CID 71214596) is (2R)-2-[1-(4-fluoro-3-methylphenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one.
What is the SMILES notation for (2R)-2-[1-(4-fluoro-3-methylphenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one?
The canonical SMILES for (2R)-2-[1-(4-fluoro-3-methylphenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one is Cc1cc(-n2cc([C@H]3OCC(=O)N3CCc3ccc(O)cc3)c(-c3ccc(F)cc3)n2)ccc1F.
What is the InChIKey of (2R)-2-[1-(4-fluoro-3-methylphenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one?
The InChIKey is ZSCXWKVXQBZMPG-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H23F2N3O3/c1-17-14-21(8-11-24(17)29)32-15-23(26(30-32)19-4-6-20(28)7-5-19)27-31(25(34)16-35-27)13-12-18-2-9-22(33)10-3-18/h2-11,14-15,27,33H,12-13,16H2,1H3/t27-/m1/s1.
What are the key properties of (2R)-2-[1-(4-fluoro-3-methylphenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one?
(2R)-2-[1-(4-fluoro-3-methylphenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one has a molecular weight of 475.50 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(4-fluoro-3-methylphenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one is sourced from PubChem (CID 71214596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).