4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]-N-cyclohexyl-5-oxocyclohepta-1,3,6-triene-1-carboxamide

C26H29FN4O5 — CID 23658098

IUPAC4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]-N-cyclohexyl-5-oxocyclohepta-1,3,6-triene-1-carboxamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(Nc3ccc(C(=O)NC4CCCCC4)ccc3=O)c(F)c2)C(=O)O1
InChIInChI=1S/C26H29FN4O5/c1-16(32)28-14-20-15-31(26(35)36-20)19-9-11-22(21(27)13-19)30-23-10-7-17(8-12-24(23)33)25(34)29-18-5-3-2-4-6-18/h7-13,18,20H,2-6,14-15H2,1H3,(H,28,32)(H,29,34)(H,30,33)/t20-/m0/s1
InChIKeyVQOSRRAZCCCWIE-FQEVSTJZSA-N
MW496.54 g/mol
LogP3.45
Rot. Bonds7

About 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]-N-cyclohexyl-5-oxocyclohepta-1,3,6-triene-1-carboxamide

4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]-N-cyclohexyl-5-oxocyclohepta-1,3,6-triene-1-carboxamide (PubChem CID 23658098) has the molecular formula C26H29FN4O5 and a molecular weight of 496.54 g/mol. Its IUPAC name is 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]-N-cyclohexyl-5-oxocyclohepta-1,3,6-triene-1-carboxamide.

Molecular Properties

Compound Name4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]-N-cyclohexyl-5-oxocyclohepta-1,3,6-triene-1-carboxamide
PubChem CID23658098
Molecular FormulaC26H29FN4O5
Molecular Weight496.54 g/mol
Exact Mass496.21
IUPAC Name4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]-N-cyclohexyl-5-oxocyclohepta-1,3,6-triene-1-carboxamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(Nc3ccc(C(=O)NC4CCCCC4)ccc3=O)c(F)c2)C(=O)O1
InChIInChI=1S/C26H29FN4O5/c1-16(32)28-14-20-15-31(26(35)36-20)19-9-11-22(21(27)13-19)30-23-10-7-17(8-12-24(23)33)25(34)29-18-5-3-2-4-6-18/h7-13,18,20H,2-6,14-15H2,1H3,(H,28,32)(H,29,34)(H,30,33)/t20-/m0/s1
InChIKeyVQOSRRAZCCCWIE-FQEVSTJZSA-N
XLogP3.45
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]-N-cyclohexyl-5-oxocyclohepta-1,3,6-triene-1-carboxamide with MolForge

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Related Compounds

N-[[3-[3-fluoro-4-[[7-oxo-4-(2-phenylethynyl)cyclohepta-1,3,5-trien-1-yl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 163562195
N-[[(5S)-3-[4-[[4-(cyclohexylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-difluoroacetamide
CID 143555408
N-[[(5S)-3-[4-(azetidin-3-ylamino)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67273734
N-[[(5S)-3-[3-fluoro-4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15433046
N-[[(5S)-3-[3-fluoro-4-(piperidin-4-ylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67273834
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
tert-butyl N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamate
CID 139949494
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
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-[[4-[(E)-3-hydroxyprop-1-enyl]-7-oxocyclohepta-1,3,5-trien-1-yl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 143555085
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]-N-cyclohexyl-5-oxocyclohepta-1,3,6-triene-1-carboxamide?
The IUPAC name of 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]-N-cyclohexyl-5-oxocyclohepta-1,3,6-triene-1-carboxamide (CID 23658098) is 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]-N-cyclohexyl-5-oxocyclohepta-1,3,6-triene-1-carboxamide.
What is the SMILES notation for 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]-N-cyclohexyl-5-oxocyclohepta-1,3,6-triene-1-carboxamide?
The canonical SMILES for 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]-N-cyclohexyl-5-oxocyclohepta-1,3,6-triene-1-carboxamide is CC(=O)NC[C@H]1CN(c2ccc(Nc3ccc(C(=O)NC4CCCCC4)ccc3=O)c(F)c2)C(=O)O1.
What is the InChIKey of 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]-N-cyclohexyl-5-oxocyclohepta-1,3,6-triene-1-carboxamide?
The InChIKey is VQOSRRAZCCCWIE-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H29FN4O5/c1-16(32)28-14-20-15-31(26(35)36-20)19-9-11-22(21(27)13-19)30-23-10-7-17(8-12-24(23)33)25(34)29-18-5-3-2-4-6-18/h7-13,18,20H,2-6,14-15H2,1H3,(H,28,32)(H,29,34)(H,30,33)/t20-/m0/s1.
What are the key properties of 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]-N-cyclohexyl-5-oxocyclohepta-1,3,6-triene-1-carboxamide?
4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]-N-cyclohexyl-5-oxocyclohepta-1,3,6-triene-1-carboxamide has a molecular weight of 496.54 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]-N-cyclohexyl-5-oxocyclohepta-1,3,6-triene-1-carboxamide is sourced from PubChem (CID 23658098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).