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

C24H21FN4O3 — CID 136620364

IUPAC(2R)-2-[1-(4-fluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one
SMILESO=C1CO[C@H](c2cn(-c3ccc(F)cc3)nc2-c2cc[nH]c2)N1CCc1ccc(O)cc1
InChIInChI=1S/C24H21FN4O3/c25-18-3-5-19(6-4-18)29-14-21(23(27-29)17-9-11-26-13-17)24-28(22(31)15-32-24)12-10-16-1-7-20(30)8-2-16/h1-9,11,13-14,24,26,30H,10,12,15H2/t24-/m1/s1
InChIKeyXIDQUBCWBZDEPP-XMMPIXPASA-N
MW432.46 g/mol
LogP3.81
Rot. Bonds6

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

(2R)-2-[1-(4-fluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one (PubChem CID 136620364) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is (2R)-2-[1-(4-fluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(2R)-2-[1-(4-fluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one
PubChem CID136620364
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name(2R)-2-[1-(4-fluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one
SMILESO=C1CO[C@H](c2cn(-c3ccc(F)cc3)nc2-c2cc[nH]c2)N1CCc1ccc(O)cc1
InChIInChI=1S/C24H21FN4O3/c25-18-3-5-19(6-4-18)29-14-21(23(27-29)17-9-11-26-13-17)24-28(22(31)15-32-24)12-10-16-1-7-20(30)8-2-16/h1-9,11,13-14,24,26,30H,10,12,15H2/t24-/m1/s1
InChIKeyXIDQUBCWBZDEPP-XMMPIXPASA-N
XLogP3.81
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(4-fluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one?
The IUPAC name of (2R)-2-[1-(4-fluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one (CID 136620364) is (2R)-2-[1-(4-fluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one.
What is the SMILES notation for (2R)-2-[1-(4-fluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one?
The canonical SMILES for (2R)-2-[1-(4-fluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one is O=C1CO[C@H](c2cn(-c3ccc(F)cc3)nc2-c2cc[nH]c2)N1CCc1ccc(O)cc1.
What is the InChIKey of (2R)-2-[1-(4-fluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one?
The InChIKey is XIDQUBCWBZDEPP-XMMPIXPASA-N. The full InChI is InChI=1S/C24H21FN4O3/c25-18-3-5-19(6-4-18)29-14-21(23(27-29)17-9-11-26-13-17)24-28(22(31)15-32-24)12-10-16-1-7-20(30)8-2-16/h1-9,11,13-14,24,26,30H,10,12,15H2/t24-/m1/s1.
What are the key properties of (2R)-2-[1-(4-fluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one?
(2R)-2-[1-(4-fluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one has a molecular weight of 432.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(4-fluorophenyl)-3-(1H-pyrrol-3-yl)pyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one is sourced from PubChem (CID 136620364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).