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

C16H13FN4O3S — CID 10338562

IUPACN-[[(5S)-3-[4-(5-cyano-1,3-thiazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ncc(C#N)s3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H13FN4O3S/c1-9(22)19-6-11-8-21(16(23)24-11)10-2-3-13(14(17)4-10)15-20-7-12(5-18)25-15/h2-4,7,11H,6,8H2,1H3,(H,19,22)/t11-/m0/s1
InChIKeyFGUCVLMMGZZQBB-NSHDSACASA-N
MW360.37 g/mol
LogP2.28
Rot. Bonds4

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

N-[[(5S)-3-[4-(5-cyano-1,3-thiazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10338562) has the molecular formula C16H13FN4O3S and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[[(5S)-3-[4-(5-cyano-1,3-thiazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-(5-cyano-1,3-thiazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10338562
Molecular FormulaC16H13FN4O3S
Molecular Weight360.37 g/mol
Exact Mass360.07
IUPAC NameN-[[(5S)-3-[4-(5-cyano-1,3-thiazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ncc(C#N)s3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H13FN4O3S/c1-9(22)19-6-11-8-21(16(23)24-11)10-2-3-13(14(17)4-10)15-20-7-12(5-18)25-15/h2-4,7,11H,6,8H2,1H3,(H,19,22)/t11-/m0/s1
InChIKeyFGUCVLMMGZZQBB-NSHDSACASA-N
XLogP2.28
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-(5-cyano-1,3-thiazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-(5-cyano-1,3-thiazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10338562) is N-[[(5S)-3-[4-(5-cyano-1,3-thiazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-(5-cyano-1,3-thiazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-(5-cyano-1,3-thiazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ncc(C#N)s3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-(5-cyano-1,3-thiazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is FGUCVLMMGZZQBB-NSHDSACASA-N. The full InChI is InChI=1S/C16H13FN4O3S/c1-9(22)19-6-11-8-21(16(23)24-11)10-2-3-13(14(17)4-10)15-20-7-12(5-18)25-15/h2-4,7,11H,6,8H2,1H3,(H,19,22)/t11-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-(5-cyano-1,3-thiazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-(5-cyano-1,3-thiazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 360.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-(5-cyano-1,3-thiazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10338562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).