N-[[(5S)-3-[4-[2-(2-cyanothiophen-3-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C19H15F2N3O3S — CID 70143933

IUPACN-[[(5S)-3-[4-[2-(2-cyanothiophen-3-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C=C(F)c3ccsc3C#N)c(F)c2)C(=O)O1
InChIInChI=1S/C19H15F2N3O3S/c1-11(25)23-9-14-10-24(19(26)27-14)13-3-2-12(16(20)7-13)6-17(21)15-4-5-28-18(15)8-22/h2-7,14H,9-10H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyPESOYKIXHBVMQD-AWEZNQCLSA-N
MW403.41 g/mol
LogP3.69
Rot. Bonds5

About N-[[(5S)-3-[4-[2-(2-cyanothiophen-3-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[2-(2-cyanothiophen-3-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 70143933) has the molecular formula C19H15F2N3O3S and a molecular weight of 403.41 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[2-(2-cyanothiophen-3-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[2-(2-cyanothiophen-3-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID70143933
Molecular FormulaC19H15F2N3O3S
Molecular Weight403.41 g/mol
Exact Mass403.08
IUPAC NameN-[[(5S)-3-[4-[2-(2-cyanothiophen-3-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C=C(F)c3ccsc3C#N)c(F)c2)C(=O)O1
InChIInChI=1S/C19H15F2N3O3S/c1-11(25)23-9-14-10-24(19(26)27-14)13-3-2-12(16(20)7-13)6-17(21)15-4-5-28-18(15)8-22/h2-7,14H,9-10H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyPESOYKIXHBVMQD-AWEZNQCLSA-N
XLogP3.69
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(5S)-3-[4-[2-(2-aminopyrimidin-5-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70144379
N-[[(5S)-3-[4-[2-(5-cyano-3-pyridinyl)ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70144060
N-[[(5S)-3-[4-[2-(benzenesulfonyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70146611
N-[[3-[4-(4-cyanophenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69098886
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[[(5S)-3-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173257560
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[(5S)-3-[4-[2-bromo-2-[3-[(dimethylamino)methyl]phenyl]ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173264406
N-[[3-[4-[4-(cyanomethyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462595
N-[[(5S)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10337481
N-[[3-[3-fluoro-4-(4-isocyanophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404253

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[2-(2-cyanothiophen-3-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[2-(2-cyanothiophen-3-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 70143933) is N-[[(5S)-3-[4-[2-(2-cyanothiophen-3-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[2-(2-cyanothiophen-3-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[2-(2-cyanothiophen-3-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C=C(F)c3ccsc3C#N)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[2-(2-cyanothiophen-3-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is PESOYKIXHBVMQD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H15F2N3O3S/c1-11(25)23-9-14-10-24(19(26)27-14)13-3-2-12(16(20)7-13)6-17(21)15-4-5-28-18(15)8-22/h2-7,14H,9-10H2,1H3,(H,23,25)/t14-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[2-(2-cyanothiophen-3-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[2-(2-cyanothiophen-3-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 403.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[2-(2-cyanothiophen-3-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 70143933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).