1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-triazole-3-carboxamide

C15H15FN6O4 — CID 10522640

IUPAC1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-triazole-3-carboxamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3cnc(C(N)=O)n3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H15FN6O4/c1-8(23)18-5-10-6-21(15(25)26-10)9-2-3-12(11(16)4-9)22-7-19-14(20-22)13(17)24/h2-4,7,10H,5-6H2,1H3,(H2,17,24)(H,18,23)/t10-/m0/s1
InChIKeyLGUDEOQQMPIYRQ-JTQLQIEISA-N
MW362.32 g/mol
LogP-0.03
Rot. Bonds5

About 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-triazole-3-carboxamide

1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-triazole-3-carboxamide (PubChem CID 10522640) has the molecular formula C15H15FN6O4 and a molecular weight of 362.32 g/mol. Its IUPAC name is 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-triazole-3-carboxamide
PubChem CID10522640
Molecular FormulaC15H15FN6O4
Molecular Weight362.32 g/mol
Exact Mass362.11
IUPAC Name1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-triazole-3-carboxamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3cnc(C(N)=O)n3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H15FN6O4/c1-8(23)18-5-10-6-21(15(25)26-10)9-2-3-12(11(16)4-9)22-7-19-14(20-22)13(17)24/h2-4,7,10H,5-6H2,1H3,(H2,17,24)(H,18,23)/t10-/m0/s1
InChIKeyLGUDEOQQMPIYRQ-JTQLQIEISA-N
XLogP-0.03
TPSA132.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-triazole-3-carboxamide (CID 10522640) is 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-triazole-3-carboxamide is CC(=O)NC[C@H]1CN(c2ccc(-n3cnc(C(N)=O)n3)c(F)c2)C(=O)O1.
What is the InChIKey of 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is LGUDEOQQMPIYRQ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15FN6O4/c1-8(23)18-5-10-6-21(15(25)26-10)9-2-3-12(11(16)4-9)22-7-19-14(20-22)13(17)24/h2-4,7,10H,5-6H2,1H3,(H2,17,24)(H,18,23)/t10-/m0/s1.
What are the key properties of 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-triazole-3-carboxamide?
1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 362.32 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 10522640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).