N-[[3-[4-[(1S)-3,4-dihydroxycyclohexyl]-2,3,5-trifluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C18H21F3N2O5 — CID 143760557

IUPACN-[[3-[4-[(1S)-3,4-dihydroxycyclohexyl]-2,3,5-trifluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2cc(F)c([C@H]3CCC(O)C(O)C3)c(F)c2F)C(=O)O1
InChIInChI=1S/C18H21F3N2O5/c1-8(24)22-6-10-7-23(18(27)28-10)12-5-11(19)15(17(21)16(12)20)9-2-3-13(25)14(26)4-9/h5,9-10,13-14,25-26H,2-4,6-7H2,1H3,(H,22,24)/t9-,10?,13?,14?/m0/s1
InChIKeyAUHZNMAATIYHKJ-CBWZGZIKSA-N
MW402.37 g/mol
LogP1.55
Rot. Bonds4

About N-[[3-[4-[(1S)-3,4-dihydroxycyclohexyl]-2,3,5-trifluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[4-[(1S)-3,4-dihydroxycyclohexyl]-2,3,5-trifluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 143760557) has the molecular formula C18H21F3N2O5 and a molecular weight of 402.37 g/mol. Its IUPAC name is N-[[3-[4-[(1S)-3,4-dihydroxycyclohexyl]-2,3,5-trifluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-[(1S)-3,4-dihydroxycyclohexyl]-2,3,5-trifluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID143760557
Molecular FormulaC18H21F3N2O5
Molecular Weight402.37 g/mol
Exact Mass402.14
IUPAC NameN-[[3-[4-[(1S)-3,4-dihydroxycyclohexyl]-2,3,5-trifluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2cc(F)c([C@H]3CCC(O)C(O)C3)c(F)c2F)C(=O)O1
InChIInChI=1S/C18H21F3N2O5/c1-8(24)22-6-10-7-23(18(27)28-10)12-5-11(19)15(17(21)16(12)20)9-2-3-13(25)14(26)4-9/h5,9-10,13-14,25-26H,2-4,6-7H2,1H3,(H,22,24)/t9-,10?,13?,14?/m0/s1
InChIKeyAUHZNMAATIYHKJ-CBWZGZIKSA-N
XLogP1.55
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[(5S)-3-[2,5-difluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 71030002
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-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22625716
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[[(5S)-3-[3,5-difluoro-4-[(1S,5R)-3-hydroxy-3-thioniabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 153101011
N-[[(5S)-3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11290525
N-[[3-[4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142224217
N-[[(5S)-3-[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18391862
N-[[(5S)-3-[3-fluoro-4-(3-hydroxy-2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142714003
N-[[(5S)-3-[3-fluoro-4-[(1R)-4-hydroxy-3-oxocyclohexyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 91299786
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

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[(1S)-3,4-dihydroxycyclohexyl]-2,3,5-trifluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-[(1S)-3,4-dihydroxycyclohexyl]-2,3,5-trifluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 143760557) is N-[[3-[4-[(1S)-3,4-dihydroxycyclohexyl]-2,3,5-trifluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-[(1S)-3,4-dihydroxycyclohexyl]-2,3,5-trifluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-[(1S)-3,4-dihydroxycyclohexyl]-2,3,5-trifluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2cc(F)c([C@H]3CCC(O)C(O)C3)c(F)c2F)C(=O)O1.
What is the InChIKey of N-[[3-[4-[(1S)-3,4-dihydroxycyclohexyl]-2,3,5-trifluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is AUHZNMAATIYHKJ-CBWZGZIKSA-N. The full InChI is InChI=1S/C18H21F3N2O5/c1-8(24)22-6-10-7-23(18(27)28-10)12-5-11(19)15(17(21)16(12)20)9-2-3-13(25)14(26)4-9/h5,9-10,13-14,25-26H,2-4,6-7H2,1H3,(H,22,24)/t9-,10?,13?,14?/m0/s1.
What are the key properties of N-[[3-[4-[(1S)-3,4-dihydroxycyclohexyl]-2,3,5-trifluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[4-[(1S)-3,4-dihydroxycyclohexyl]-2,3,5-trifluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 402.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[(1S)-3,4-dihydroxycyclohexyl]-2,3,5-trifluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 143760557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).