[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 1,3-diphenylpyrazole-4-carboxylate

C21H17N3O5 — CID 8653888

IUPAC[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 1,3-diphenylpyrazole-4-carboxylate
SMILESO=C(OCC(=O)N1CCOC1=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H17N3O5/c25-18(23-11-12-28-21(23)27)14-29-20(26)17-13-24(16-9-5-2-6-10-16)22-19(17)15-7-3-1-4-8-15/h1-10,13H,11-12,14H2
InChIKeyNJLKXQSLWGMGQX-UHFFFAOYSA-N
MW391.38 g/mol
LogP2.67
Rot. Bonds5

About [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 1,3-diphenylpyrazole-4-carboxylate

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 1,3-diphenylpyrazole-4-carboxylate (PubChem CID 8653888) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 1,3-diphenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 1,3-diphenylpyrazole-4-carboxylate
PubChem CID8653888
Molecular FormulaC21H17N3O5
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 1,3-diphenylpyrazole-4-carboxylate
SMILESO=C(OCC(=O)N1CCOC1=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H17N3O5/c25-18(23-11-12-28-21(23)27)14-29-20(26)17-13-24(16-9-5-2-6-10-16)22-19(17)15-7-3-1-4-8-15/h1-10,13H,11-12,14H2
InChIKeyNJLKXQSLWGMGQX-UHFFFAOYSA-N
XLogP2.67
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 8743973
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 23933527
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-phenylbenzoate
CID 8650065
[2-(cyclopropylamino)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2580715
(1,3-dioxoisoindol-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate
CID 3882566
[2-(butylamino)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2434472
(2-amino-2-oxoethyl) 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
CID 2580785
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2358734
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 23939459
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 16531071
[2-(methylamino)-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 8908453
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
CID 135798280

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 1,3-diphenylpyrazole-4-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 1,3-diphenylpyrazole-4-carboxylate (CID 8653888) is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 1,3-diphenylpyrazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 1,3-diphenylpyrazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 1,3-diphenylpyrazole-4-carboxylate is O=C(OCC(=O)N1CCOC1=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 1,3-diphenylpyrazole-4-carboxylate?
The InChIKey is NJLKXQSLWGMGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5/c25-18(23-11-12-28-21(23)27)14-29-20(26)17-13-24(16-9-5-2-6-10-16)22-19(17)15-7-3-1-4-8-15/h1-10,13H,11-12,14H2.
What are the key properties of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 1,3-diphenylpyrazole-4-carboxylate?
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 1,3-diphenylpyrazole-4-carboxylate has a molecular weight of 391.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 1,3-diphenylpyrazole-4-carboxylate is sourced from PubChem (CID 8653888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).