2-[1-(4-fluoro-3-methylphenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one

C25H22FN3O3S — CID 15985894

IUPAC2-[1-(4-fluoro-3-methylphenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one
SMILESCc1cc(-n2cc(C3OCC(=O)N3CCc3ccc(O)cc3)c(-c3ccsc3)n2)ccc1F
InChIInChI=1S/C25H22FN3O3S/c1-16-12-19(4-7-22(16)26)29-13-21(24(27-29)18-9-11-33-15-18)25-28(23(31)14-32-25)10-8-17-2-5-20(30)6-3-17/h2-7,9,11-13,15,25,30H,8,10,14H2,1H3
InChIKeyMSMVKNIDTLIHAC-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.85
Rot. Bonds6

About 2-[1-(4-fluoro-3-methylphenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one

2-[1-(4-fluoro-3-methylphenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one (PubChem CID 15985894) has the molecular formula C25H22FN3O3S and a molecular weight of 463.53 g/mol. Its IUPAC name is 2-[1-(4-fluoro-3-methylphenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name2-[1-(4-fluoro-3-methylphenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one
PubChem CID15985894
Molecular FormulaC25H22FN3O3S
Molecular Weight463.53 g/mol
Exact Mass463.14
IUPAC Name2-[1-(4-fluoro-3-methylphenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one
SMILESCc1cc(-n2cc(C3OCC(=O)N3CCc3ccc(O)cc3)c(-c3ccsc3)n2)ccc1F
InChIInChI=1S/C25H22FN3O3S/c1-16-12-19(4-7-22(16)26)29-13-21(24(27-29)18-9-11-33-15-18)25-28(23(31)14-32-25)10-8-17-2-5-20(30)6-3-17/h2-7,9,11-13,15,25,30H,8,10,14H2,1H3
InChIKeyMSMVKNIDTLIHAC-UHFFFAOYSA-N
XLogP4.85
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluoro-3-methylphenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one?
The IUPAC name of 2-[1-(4-fluoro-3-methylphenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one (CID 15985894) is 2-[1-(4-fluoro-3-methylphenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one.
What is the SMILES notation for 2-[1-(4-fluoro-3-methylphenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one?
The canonical SMILES for 2-[1-(4-fluoro-3-methylphenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one is Cc1cc(-n2cc(C3OCC(=O)N3CCc3ccc(O)cc3)c(-c3ccsc3)n2)ccc1F.
What is the InChIKey of 2-[1-(4-fluoro-3-methylphenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one?
The InChIKey is MSMVKNIDTLIHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3S/c1-16-12-19(4-7-22(16)26)29-13-21(24(27-29)18-9-11-33-15-18)25-28(23(31)14-32-25)10-8-17-2-5-20(30)6-3-17/h2-7,9,11-13,15,25,30H,8,10,14H2,1H3.
What are the key properties of 2-[1-(4-fluoro-3-methylphenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one?
2-[1-(4-fluoro-3-methylphenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one has a molecular weight of 463.53 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluoro-3-methylphenyl)-3-thiophen-3-ylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazolidin-4-one is sourced from PubChem (CID 15985894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).