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

C16H17FN4O5 — CID 10451392

IUPAC3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3=NOC(C(N)=O)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H17FN4O5/c1-8(22)19-6-10-7-21(16(24)25-10)9-2-3-11(12(17)4-9)13-5-14(15(18)23)26-20-13/h2-4,10,14H,5-7H2,1H3,(H2,18,23)(H,19,22)/t10-,14?/m0/s1
InChIKeyLFJDLIWGUZJWMJ-XLLULAGJSA-N
MW364.33 g/mol
LogP0.27
Rot. Bonds5

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

3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 10451392) has the molecular formula C16H17FN4O5 and a molecular weight of 364.33 g/mol. Its IUPAC name is 3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID10451392
Molecular FormulaC16H17FN4O5
Molecular Weight364.33 g/mol
Exact Mass364.12
IUPAC Name3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3=NOC(C(N)=O)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H17FN4O5/c1-8(22)19-6-10-7-21(16(24)25-10)9-2-3-11(12(17)4-9)13-5-14(15(18)23)26-20-13/h2-4,10,14H,5-7H2,1H3,(H2,18,23)(H,19,22)/t10-,14?/m0/s1
InChIKeyLFJDLIWGUZJWMJ-XLLULAGJSA-N
XLogP0.27
TPSA123.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 10451392) is 3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(=O)NC[C@H]1CN(c2ccc(C3=NOC(C(N)=O)C3)c(F)c2)C(=O)O1.
What is the InChIKey of 3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is LFJDLIWGUZJWMJ-XLLULAGJSA-N. The full InChI is InChI=1S/C16H17FN4O5/c1-8(22)19-6-10-7-21(16(24)25-10)9-2-3-11(12(17)4-9)13-5-14(15(18)23)26-20-13/h2-4,10,14H,5-7H2,1H3,(H2,18,23)(H,19,22)/t10-,14?/m0/s1.
What are the key properties of 3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 364.33 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 10451392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).