5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one

C7H9FN4O2 — CID 58840986

IUPAC5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cc(CF)nn2)O1
InChIInChI=1S/C7H9FN4O2/c8-1-5-3-12(11-10-5)4-6-2-9-7(13)14-6/h3,6H,1-2,4H2,(H,9,13)
InChIKeyYEIVAFUPVZGTSK-UHFFFAOYSA-N
MW200.17 g/mol
LogP-0.14
Rot. Bonds3

About 5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one

5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 58840986) has the molecular formula C7H9FN4O2 and a molecular weight of 200.17 g/mol. Its IUPAC name is 5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID58840986
Molecular FormulaC7H9FN4O2
Molecular Weight200.17 g/mol
Exact Mass200.07
IUPAC Name5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cc(CF)nn2)O1
InChIInChI=1S/C7H9FN4O2/c8-1-5-3-12(11-10-5)4-6-2-9-7(13)14-6/h3,6H,1-2,4H2,(H,9,13)
InChIKeyYEIVAFUPVZGTSK-UHFFFAOYSA-N
XLogP-0.14
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one (CID 58840986) is 5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one is O=C1NCC(Cn2cc(CF)nn2)O1.
What is the InChIKey of 5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is YEIVAFUPVZGTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN4O2/c8-1-5-3-12(11-10-5)4-6-2-9-7(13)14-6/h3,6H,1-2,4H2,(H,9,13).
What are the key properties of 5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 200.17 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58840986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).