2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxo-1,3-oxazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide

C26H19F4N5O3 — CID 118411445

IUPAC2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxo-1,3-oxazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3ccc(C4COC(=O)N4)nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C26H19F4N5O3/c1-35-10-9-19(34-35)15-11-16(18(27)12-17(15)26(28,29)30)24(36)32-21-8-7-20(22-13-38-25(37)33-22)31-23(21)14-5-3-2-4-6-14/h2-12,22H,13H2,1H3,(H,32,36)(H,33,37)
InChIKeyQSZKBPIWVQXXFR-UHFFFAOYSA-N
MW525.46 g/mol
LogP5.34
Rot. Bonds5

About 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxo-1,3-oxazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide

2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxo-1,3-oxazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide (PubChem CID 118411445) has the molecular formula C26H19F4N5O3 and a molecular weight of 525.46 g/mol. Its IUPAC name is 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxo-1,3-oxazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxo-1,3-oxazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide
PubChem CID118411445
Molecular FormulaC26H19F4N5O3
Molecular Weight525.46 g/mol
Exact Mass525.14
IUPAC Name2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxo-1,3-oxazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3ccc(C4COC(=O)N4)nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C26H19F4N5O3/c1-35-10-9-19(34-35)15-11-16(18(27)12-17(15)26(28,29)30)24(36)32-21-8-7-20(22-13-38-25(37)33-22)31-23(21)14-5-3-2-4-6-14/h2-12,22H,13H2,1H3,(H,32,36)(H,33,37)
InChIKeyQSZKBPIWVQXXFR-UHFFFAOYSA-N
XLogP5.34
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.46
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxo-1,3-oxazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxo-1,3-oxazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide (CID 118411445) is 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxo-1,3-oxazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxo-1,3-oxazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxo-1,3-oxazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3ccc(C4COC(=O)N4)nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1.
What is the InChIKey of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxo-1,3-oxazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The InChIKey is QSZKBPIWVQXXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F4N5O3/c1-35-10-9-19(34-35)15-11-16(18(27)12-17(15)26(28,29)30)24(36)32-21-8-7-20(22-13-38-25(37)33-22)31-23(21)14-5-3-2-4-6-14/h2-12,22H,13H2,1H3,(H,32,36)(H,33,37).
What are the key properties of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxo-1,3-oxazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide?
2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxo-1,3-oxazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide has a molecular weight of 525.46 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxo-1,3-oxazolidin-4-yl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118411445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).