2,2-dichloro-N-[[3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide

C20H19Cl2FN6O3 — CID 69173881

IUPAC2,2-dichloro-N-[[3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
SMILESCC(Cl)(Cl)C(=O)NCC1CN(c2ccc(-c3ncc(Cn4cccn4)[nH]3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H19Cl2FN6O3/c1-20(21,22)18(30)25-9-14-11-29(19(31)32-14)13-3-4-15(16(23)7-13)17-24-8-12(27-17)10-28-6-2-5-26-28/h2-8,14H,9-11H2,1H3,(H,24,27)(H,25,30)
InChIKeyLZVQDAQLNHQHKW-UHFFFAOYSA-N
MW481.32 g/mol
LogP3.10
Rot. Bonds7

About 2,2-dichloro-N-[[3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide

2,2-dichloro-N-[[3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide (PubChem CID 69173881) has the molecular formula C20H19Cl2FN6O3 and a molecular weight of 481.32 g/mol. Its IUPAC name is 2,2-dichloro-N-[[3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide.

Molecular Properties

Compound Name2,2-dichloro-N-[[3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
PubChem CID69173881
Molecular FormulaC20H19Cl2FN6O3
Molecular Weight481.32 g/mol
Exact Mass480.09
IUPAC Name2,2-dichloro-N-[[3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
SMILESCC(Cl)(Cl)C(=O)NCC1CN(c2ccc(-c3ncc(Cn4cccn4)[nH]3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H19Cl2FN6O3/c1-20(21,22)18(30)25-9-14-11-29(19(31)32-14)13-3-4-15(16(23)7-13)17-24-8-12(27-17)10-28-6-2-5-26-28/h2-8,14H,9-11H2,1H3,(H,24,27)(H,25,30)
InChIKeyLZVQDAQLNHQHKW-UHFFFAOYSA-N
XLogP3.10
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.32
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-sulfanylacetamide
CID 87731879
N-[[3-[3-fluoro-4-[6-(pyrazol-1-ylmethyl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274076
N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25120883
3-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 70203307
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[(5S)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11756137
N-[[3-[3-fluoro-4-[4-[2-(triazol-1-yl)ethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274316
N-[[(5S)-3-[3-fluoro-4-[4-(4-pyridin-2-ylbutyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045416
N-[[(5S)-3-[3-fluoro-4-[6-(1,2,4-triazol-1-ylmethyl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11304419
tris(N-[[(5S)-3-(3,5-difluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide);(5R)-3-(3,5-difluoro-4-methylphenyl)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 160853347
N-[[3-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274293
N-[[3-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142987396

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[[3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?
The IUPAC name of 2,2-dichloro-N-[[3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide (CID 69173881) is 2,2-dichloro-N-[[3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide.
What is the SMILES notation for 2,2-dichloro-N-[[3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?
The canonical SMILES for 2,2-dichloro-N-[[3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide is CC(Cl)(Cl)C(=O)NCC1CN(c2ccc(-c3ncc(Cn4cccn4)[nH]3)c(F)c2)C(=O)O1.
What is the InChIKey of 2,2-dichloro-N-[[3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?
The InChIKey is LZVQDAQLNHQHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2FN6O3/c1-20(21,22)18(30)25-9-14-11-29(19(31)32-14)13-3-4-15(16(23)7-13)17-24-8-12(27-17)10-28-6-2-5-26-28/h2-8,14H,9-11H2,1H3,(H,24,27)(H,25,30).
What are the key properties of 2,2-dichloro-N-[[3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?
2,2-dichloro-N-[[3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide has a molecular weight of 481.32 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[[3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide is sourced from PubChem (CID 69173881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).