1,3-oxazolidin-2-one;2H-triazole

C5H8N4O2 — CID 69133755

IUPAC1,3-oxazolidin-2-one;2H-triazole
SMILESO=C1NCCO1.c1cn[nH]n1
InChIInChI=1S/C3H5NO2.C2H3N3/c5-3-4-1-2-6-3;1-2-4-5-3-1/h1-2H2,(H,4,5);1-2H,(H,3,4,5)
InChIKeyFSSUXSOMQVAKLT-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.47
Rot. Bonds

About 1,3-oxazolidin-2-one;2H-triazole

1,3-oxazolidin-2-one;2H-triazole (PubChem CID 69133755) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 1,3-oxazolidin-2-one;2H-triazole.

Molecular Properties

Compound Name1,3-oxazolidin-2-one;2H-triazole
PubChem CID69133755
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name1,3-oxazolidin-2-one;2H-triazole
SMILESO=C1NCCO1.c1cn[nH]n1
InChIInChI=1S/C3H5NO2.C2H3N3/c5-3-4-1-2-6-3;1-2-4-5-3-1/h1-2H2,(H,4,5);1-2H,(H,3,4,5)
InChIKeyFSSUXSOMQVAKLT-UHFFFAOYSA-N
XLogP-0.47
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidin-2-one;2H-triazole?
The IUPAC name of 1,3-oxazolidin-2-one;2H-triazole (CID 69133755) is 1,3-oxazolidin-2-one;2H-triazole.
What is the SMILES notation for 1,3-oxazolidin-2-one;2H-triazole?
The canonical SMILES for 1,3-oxazolidin-2-one;2H-triazole is O=C1NCCO1.c1cn[nH]n1.
What is the InChIKey of 1,3-oxazolidin-2-one;2H-triazole?
The InChIKey is FSSUXSOMQVAKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2.C2H3N3/c5-3-4-1-2-6-3;1-2-4-5-3-1/h1-2H2,(H,4,5);1-2H,(H,3,4,5).
What are the key properties of 1,3-oxazolidin-2-one;2H-triazole?
1,3-oxazolidin-2-one;2H-triazole has a molecular weight of 156.15 g/mol, XLogP of -0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidin-2-one;2H-triazole is sourced from PubChem (CID 69133755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).