N-[[(5S)-3-[4-[2-(5-cyano-3-pyridinyl)ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C20H17FN4O3 — CID 70144060

IUPACN-[[(5S)-3-[4-[2-(5-cyano-3-pyridinyl)ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C=Cc3cncc(C#N)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H17FN4O3/c1-13(26)24-11-18-12-25(20(27)28-18)17-5-4-16(19(21)7-17)3-2-14-6-15(8-22)10-23-9-14/h2-7,9-10,18H,11-12H2,1H3,(H,24,26)/t18-/m0/s1
InChIKeySXWRSZAKWMQABJ-SFHVURJKSA-N
MW380.38 g/mol
LogP2.72
Rot. Bonds5

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

N-[[(5S)-3-[4-[2-(5-cyano-3-pyridinyl)ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 70144060) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[2-(5-cyano-3-pyridinyl)ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[2-(5-cyano-3-pyridinyl)ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID70144060
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC NameN-[[(5S)-3-[4-[2-(5-cyano-3-pyridinyl)ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C=Cc3cncc(C#N)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H17FN4O3/c1-13(26)24-11-18-12-25(20(27)28-18)17-5-4-16(19(21)7-17)3-2-14-6-15(8-22)10-23-9-14/h2-7,9-10,18H,11-12H2,1H3,(H,24,26)/t18-/m0/s1
InChIKeySXWRSZAKWMQABJ-SFHVURJKSA-N
XLogP2.72
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[4-(4-cyanophenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69098886
N-[[(5S)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10337481
N-[[(5S)-3-[4-[2-(2-cyanothiophen-3-yl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70143933
N-[[(5S)-3-[4-(4-cyanotriazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10641157
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-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
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-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[(5S)-3-[4-(4-cyanoimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10497540
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
N-[[3-[3-fluoro-4-[4-(hydroxyiminomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173196227

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[2-(5-cyano-3-pyridinyl)ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[2-(5-cyano-3-pyridinyl)ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 70144060) is N-[[(5S)-3-[4-[2-(5-cyano-3-pyridinyl)ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[2-(5-cyano-3-pyridinyl)ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[2-(5-cyano-3-pyridinyl)ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C=Cc3cncc(C#N)c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[2-(5-cyano-3-pyridinyl)ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is SXWRSZAKWMQABJ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-13(26)24-11-18-12-25(20(27)28-18)17-5-4-16(19(21)7-17)3-2-14-6-15(8-22)10-23-9-14/h2-7,9-10,18H,11-12H2,1H3,(H,24,26)/t18-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[2-(5-cyano-3-pyridinyl)ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[2-(5-cyano-3-pyridinyl)ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 380.38 g/mol, XLogP of 2.72, 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-(5-cyano-3-pyridinyl)ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 70144060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).