2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-oxazolidin-5-yl)propanamide

C13H13FN6O3 — CID 67587810

IUPAC2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-oxazolidin-5-yl)propanamide
SMILESCC(C(N)=O)(c1ccc(-n2cnnn2)c(F)c1)C1CNC(=O)O1
InChIInChI=1S/C13H13FN6O3/c1-13(11(15)21,10-5-16-12(22)23-10)7-2-3-9(8(14)4-7)20-6-17-18-19-20/h2-4,6,10H,5H2,1H3,(H2,15,21)(H,16,22)
InChIKeyLNPOEDVVRYFLPE-UHFFFAOYSA-N
MW320.28 g/mol
LogP-0.35
Rot. Bonds4

About 2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-oxazolidin-5-yl)propanamide

2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-oxazolidin-5-yl)propanamide (PubChem CID 67587810) has the molecular formula C13H13FN6O3 and a molecular weight of 320.28 g/mol. Its IUPAC name is 2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-oxazolidin-5-yl)propanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-oxazolidin-5-yl)propanamide
PubChem CID67587810
Molecular FormulaC13H13FN6O3
Molecular Weight320.28 g/mol
Exact Mass320.10
IUPAC Name2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-oxazolidin-5-yl)propanamide
SMILESCC(C(N)=O)(c1ccc(-n2cnnn2)c(F)c1)C1CNC(=O)O1
InChIInChI=1S/C13H13FN6O3/c1-13(11(15)21,10-5-16-12(22)23-10)7-2-3-9(8(14)4-7)20-6-17-18-19-20/h2-4,6,10H,5H2,1H3,(H2,15,21)(H,16,22)
InChIKeyLNPOEDVVRYFLPE-UHFFFAOYSA-N
XLogP-0.35
TPSA125.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-oxazolidin-5-yl)propanamide?
The IUPAC name of 2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-oxazolidin-5-yl)propanamide (CID 67587810) is 2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-oxazolidin-5-yl)propanamide.
What is the SMILES notation for 2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-oxazolidin-5-yl)propanamide?
The canonical SMILES for 2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-oxazolidin-5-yl)propanamide is CC(C(N)=O)(c1ccc(-n2cnnn2)c(F)c1)C1CNC(=O)O1.
What is the InChIKey of 2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-oxazolidin-5-yl)propanamide?
The InChIKey is LNPOEDVVRYFLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN6O3/c1-13(11(15)21,10-5-16-12(22)23-10)7-2-3-9(8(14)4-7)20-6-17-18-19-20/h2-4,6,10H,5H2,1H3,(H2,15,21)(H,16,22).
What are the key properties of 2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-oxazolidin-5-yl)propanamide?
2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-oxazolidin-5-yl)propanamide has a molecular weight of 320.28 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-(2-oxo-1,3-oxazolidin-5-yl)propanamide is sourced from PubChem (CID 67587810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).