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

C9H10N4O3 — CID 141078009

IUPAC5-[[4-(3-hydroxyprop-1-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cc(C#CCO)nn2)O1
InChIInChI=1S/C9H10N4O3/c14-3-1-2-7-5-13(12-11-7)6-8-4-10-9(15)16-8/h5,8,14H,3-4,6H2,(H,10,15)
InChIKeyNLDFDBQAAOLSLH-UHFFFAOYSA-N
MW222.20 g/mol
LogP-1.27
Rot. Bonds2

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

5-[[4-(3-hydroxyprop-1-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 141078009) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 5-[[4-(3-hydroxyprop-1-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-(3-hydroxyprop-1-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID141078009
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name5-[[4-(3-hydroxyprop-1-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cc(C#CCO)nn2)O1
InChIInChI=1S/C9H10N4O3/c14-3-1-2-7-5-13(12-11-7)6-8-4-10-9(15)16-8/h5,8,14H,3-4,6H2,(H,10,15)
InChIKeyNLDFDBQAAOLSLH-UHFFFAOYSA-N
XLogP-1.27
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[4-(Fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 58840986
5-[[4-(Trifluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 141077997
(5R)-3-methyl-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 57588285
5-[[4-(Aminomethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 62055901
5-[[4-(2-Hydroxyethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 62400194
5-[[4-(Hydroxymethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 62401843
(5R)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 141075048
5-[(4-Methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 141077356
5-[[4-(4-Morpholin-4-ylbut-2-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 141077995
5-[[4-[4-(Dimethylamino)but-2-ynyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 141078000
5-[[4-(2-Bromoethynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 141078002
5-[[4-[4-(Diethylamino)but-2-ynyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 141078003

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-hydroxyprop-1-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-(3-hydroxyprop-1-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one (CID 141078009) is 5-[[4-(3-hydroxyprop-1-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-(3-hydroxyprop-1-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-(3-hydroxyprop-1-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one is O=C1NCC(Cn2cc(C#CCO)nn2)O1.
What is the InChIKey of 5-[[4-(3-hydroxyprop-1-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is NLDFDBQAAOLSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c14-3-1-2-7-5-13(12-11-7)6-8-4-10-9(15)16-8/h5,8,14H,3-4,6H2,(H,10,15).
What are the key properties of 5-[[4-(3-hydroxyprop-1-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
5-[[4-(3-hydroxyprop-1-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 222.20 g/mol, XLogP of -1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-hydroxyprop-1-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 141078009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).