N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide

C21H17F3N4O3 — CID 78883780

IUPACN-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(N3CCOC3=O)c2)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C21H17F3N4O3/c1-13-10-18(28(26-13)17-7-3-5-15(12-17)21(22,23)24)25-19(29)14-4-2-6-16(11-14)27-8-9-31-20(27)30/h2-7,10-12H,8-9H2,1H3,(H,25,29)
InChIKeyWYYOCDYTBNFEOZ-UHFFFAOYSA-N
MW430.39 g/mol
LogP4.41
Rot. Bonds4

About N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide

N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide (PubChem CID 78883780) has the molecular formula C21H17F3N4O3 and a molecular weight of 430.39 g/mol. Its IUPAC name is N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide.

Molecular Properties

Compound NameN-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
PubChem CID78883780
Molecular FormulaC21H17F3N4O3
Molecular Weight430.39 g/mol
Exact Mass430.13
IUPAC NameN-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(N3CCOC3=O)c2)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C21H17F3N4O3/c1-13-10-18(28(26-13)17-7-3-5-15(12-17)21(22,23)24)25-19(29)14-4-2-6-16(11-14)27-8-9-31-20(27)30/h2-7,10-12H,8-9H2,1H3,(H,25,29)
InChIKeyWYYOCDYTBNFEOZ-UHFFFAOYSA-N
XLogP4.41
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The IUPAC name of N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide (CID 78883780) is N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide.
What is the SMILES notation for N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The canonical SMILES for N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide is Cc1cc(NC(=O)c2cccc(N3CCOC3=O)c2)n(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The InChIKey is WYYOCDYTBNFEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O3/c1-13-10-18(28(26-13)17-7-3-5-15(12-17)21(22,23)24)25-19(29)14-4-2-6-16(11-14)27-8-9-31-20(27)30/h2-7,10-12H,8-9H2,1H3,(H,25,29).
What are the key properties of N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide has a molecular weight of 430.39 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide is sourced from PubChem (CID 78883780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).