N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide

C21H18F2N4O3 — CID 60611515

IUPACN-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESCc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C21H18F2N4O3/c1-13-11-24-27(12-15-9-16(22)5-6-18(15)23)19(13)25-20(28)14-3-2-4-17(10-14)26-7-8-30-21(26)29/h2-6,9-11H,7-8,12H2,1H3,(H,25,28)
InChIKeyJGUOUYYESCLCCM-UHFFFAOYSA-N
MW412.40 g/mol
LogP3.73
Rot. Bonds5

About N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide

N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide (PubChem CID 60611515) has the molecular formula C21H18F2N4O3 and a molecular weight of 412.40 g/mol. Its IUPAC name is N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide.

Molecular Properties

Compound NameN-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
PubChem CID60611515
Molecular FormulaC21H18F2N4O3
Molecular Weight412.40 g/mol
Exact Mass412.13
IUPAC NameN-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESCc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C21H18F2N4O3/c1-13-11-24-27(12-15-9-16(22)5-6-18(15)23)19(13)25-20(28)14-3-2-4-17(10-14)26-7-8-30-21(26)29/h2-6,9-11H,7-8,12H2,1H3,(H,25,28)
InChIKeyJGUOUYYESCLCCM-UHFFFAOYSA-N
XLogP3.73
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The IUPAC name of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide (CID 60611515) is N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide.
What is the SMILES notation for N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The canonical SMILES for N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide is Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1cccc(N2CCOC2=O)c1.
What is the InChIKey of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The InChIKey is JGUOUYYESCLCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O3/c1-13-11-24-27(12-15-9-16(22)5-6-18(15)23)19(13)25-20(28)14-3-2-4-17(10-14)26-7-8-30-21(26)29/h2-6,9-11H,7-8,12H2,1H3,(H,25,28).
What are the key properties of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide has a molecular weight of 412.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide is sourced from PubChem (CID 60611515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).