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

C20H16F2N4O3 — CID 10272163

IUPACN-[[(5S)-3-[4-[(Z)-2-(5-cyano-3-pyridinyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)c3cncc(C#N)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H16F2N4O3/c1-12(27)25-10-17-11-26(20(28)29-17)16-3-2-14(19(22)6-16)5-18(21)15-4-13(7-23)8-24-9-15/h2-6,8-9,17H,10-11H2,1H3,(H,25,27)/b18-5-/t17-/m0/s1
InChIKeyIPUHVCJFJHSNFM-HGOIYWCMSA-N
MW398.37 g/mol
LogP3.02
Rot. Bonds5

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

N-[[(5S)-3-[4-[(Z)-2-(5-cyano-3-pyridinyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10272163) has the molecular formula C20H16F2N4O3 and a molecular weight of 398.37 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[(Z)-2-(5-cyano-3-pyridinyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[(Z)-2-(5-cyano-3-pyridinyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10272163
Molecular FormulaC20H16F2N4O3
Molecular Weight398.37 g/mol
Exact Mass398.12
IUPAC NameN-[[(5S)-3-[4-[(Z)-2-(5-cyano-3-pyridinyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)c3cncc(C#N)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H16F2N4O3/c1-12(27)25-10-17-11-26(20(28)29-17)16-3-2-14(19(22)6-16)5-18(21)15-4-13(7-23)8-24-9-15/h2-6,8-9,17H,10-11H2,1H3,(H,25,27)/b18-5-/t17-/m0/s1
InChIKeyIPUHVCJFJHSNFM-HGOIYWCMSA-N
XLogP3.02
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[(Z)-2-(5-cyano-3-pyridinyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[(Z)-2-(5-cyano-3-pyridinyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10272163) is N-[[(5S)-3-[4-[(Z)-2-(5-cyano-3-pyridinyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[(Z)-2-(5-cyano-3-pyridinyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[(Z)-2-(5-cyano-3-pyridinyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)c3cncc(C#N)c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[(Z)-2-(5-cyano-3-pyridinyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is IPUHVCJFJHSNFM-HGOIYWCMSA-N. The full InChI is InChI=1S/C20H16F2N4O3/c1-12(27)25-10-17-11-26(20(28)29-17)16-3-2-14(19(22)6-16)5-18(21)15-4-13(7-23)8-24-9-15/h2-6,8-9,17H,10-11H2,1H3,(H,25,27)/b18-5-/t17-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[(Z)-2-(5-cyano-3-pyridinyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[(Z)-2-(5-cyano-3-pyridinyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 398.37 g/mol, XLogP of 3.02, 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-[(Z)-2-(5-cyano-3-pyridinyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10272163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).