N-[[2-oxo-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide

C18H18F3N5O3 — CID 89204437

IUPACN-[[2-oxo-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2cc(F)c(N3Cc4cn(C)nc4C3)c(F)c2F)C(=O)O1
InChIInChI=1S/C18H18F3N5O3/c1-9(27)22-4-11-7-26(18(28)29-11)14-3-12(19)17(16(21)15(14)20)25-6-10-5-24(2)23-13(10)8-25/h3,5,11H,4,6-8H2,1-2H3,(H,22,27)
InChIKeyJWVAPPJLHMLDMA-UHFFFAOYSA-N
MW409.37 g/mol
LogP1.82
Rot. Bonds4

About N-[[2-oxo-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[2-oxo-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 89204437) has the molecular formula C18H18F3N5O3 and a molecular weight of 409.37 g/mol. Its IUPAC name is N-[[2-oxo-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-oxo-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID89204437
Molecular FormulaC18H18F3N5O3
Molecular Weight409.37 g/mol
Exact Mass409.14
IUPAC NameN-[[2-oxo-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2cc(F)c(N3Cc4cn(C)nc4C3)c(F)c2F)C(=O)O1
InChIInChI=1S/C18H18F3N5O3/c1-9(27)22-4-11-7-26(18(28)29-11)14-3-12(19)17(16(21)15(14)20)25-6-10-5-24(2)23-13(10)8-25/h3,5,11H,4,6-8H2,1-2H3,(H,22,27)
InChIKeyJWVAPPJLHMLDMA-UHFFFAOYSA-N
XLogP1.82
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[4-[2-(cyanomethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23515460
N-[[3-[3-fluoro-4-(2-prop-2-ynyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23503618
N-[[3-[4-[(1S)-3,4-dihydroxycyclohexyl]-2,3,5-trifluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 143760557
2-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethyl dihydrogen phosphate
CID 21354609
N-[[(5S)-3-[3-fluoro-4-[2-(phenylmethoxymethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10238856
methyl N-[[(5S)-3-(5,8-difluoro-1-methyl-2-oxo-4H-3,1-benzoxazin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 23660120
3-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 22505084
N-[[(5S)-3-[4-(4-aminopiperidin-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68943046
N-[[(5S)-3-[2,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25184391
N-[[(5S)-3-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994592
N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 71064232
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189

Frequently Asked Questions

What is the IUPAC name of N-[[2-oxo-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[2-oxo-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide (CID 89204437) is N-[[2-oxo-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-oxo-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[2-oxo-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2cc(F)c(N3Cc4cn(C)nc4C3)c(F)c2F)C(=O)O1.
What is the InChIKey of N-[[2-oxo-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is JWVAPPJLHMLDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O3/c1-9(27)22-4-11-7-26(18(28)29-11)14-3-12(19)17(16(21)15(14)20)25-6-10-5-24(2)23-13(10)8-25/h3,5,11H,4,6-8H2,1-2H3,(H,22,27).
What are the key properties of N-[[2-oxo-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[2-oxo-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 409.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-oxo-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 89204437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).