N-[[(5S)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C14H14FN5O3 — CID 10567624

IUPACN-[[(5S)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3ccnn3)c(F)c2)C(=O)O1
InChIInChI=1S/C14H14FN5O3/c1-9(21)16-7-11-8-19(14(22)23-11)10-2-3-13(12(15)6-10)20-5-4-17-18-20/h2-6,11H,7-8H2,1H3,(H,16,21)/t11-/m0/s1
InChIKeyJJBMTUJJQREOPY-NSHDSACASA-N
MW319.30 g/mol
LogP0.87
Rot. Bonds4

About N-[[(5S)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10567624) has the molecular formula C14H14FN5O3 and a molecular weight of 319.30 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10567624
Molecular FormulaC14H14FN5O3
Molecular Weight319.30 g/mol
Exact Mass319.11
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3ccnn3)c(F)c2)C(=O)O1
InChIInChI=1S/C14H14FN5O3/c1-9(21)16-7-11-8-19(14(22)23-11)10-2-3-13(12(15)6-10)20-5-4-17-18-20/h2-6,11H,7-8H2,1H3,(H,16,21)/t11-/m0/s1
InChIKeyJJBMTUJJQREOPY-NSHDSACASA-N
XLogP0.87
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10567624) is N-[[(5S)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-n3ccnn3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is JJBMTUJJQREOPY-NSHDSACASA-N. The full InChI is InChI=1S/C14H14FN5O3/c1-9(21)16-7-11-8-19(14(22)23-11)10-2-3-13(12(15)6-10)20-5-4-17-18-20/h2-6,11H,7-8H2,1H3,(H,16,21)/t11-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 319.30 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10567624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).