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

C7H10N4O3 — CID 62401843

IUPAC5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cc(CO)nn2)O1
InChIInChI=1S/C7H10N4O3/c12-4-5-2-11(10-9-5)3-6-1-8-7(13)14-6/h2,6,12H,1,3-4H2,(H,8,13)
InChIKeyFODSIAFCXRZYRB-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.12
Rot. Bonds3

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

5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 62401843) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID62401843
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cc(CO)nn2)O1
InChIInChI=1S/C7H10N4O3/c12-4-5-2-11(10-9-5)3-6-1-8-7(13)14-6/h2,6,12H,1,3-4H2,(H,8,13)
InChIKeyFODSIAFCXRZYRB-UHFFFAOYSA-N
XLogP-1.12
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one (CID 62401843) is 5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one is O=C1NCC(Cn2cc(CO)nn2)O1.
What is the InChIKey of 5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is FODSIAFCXRZYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c12-4-5-2-11(10-9-5)3-6-1-8-7(13)14-6/h2,6,12H,1,3-4H2,(H,8,13).
What are the key properties of 5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 198.18 g/mol, XLogP of -1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 62401843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).