1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-propan-2-yltriazole-4-carboxylic acid

C10H14N4O4 — CID 55029559

IUPAC1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-propan-2-yltriazole-4-carboxylic acid
SMILESCC(C)c1c(C(=O)O)nnn1CC1CNC(=O)O1
InChIInChI=1S/C10H14N4O4/c1-5(2)8-7(9(15)16)12-13-14(8)4-6-3-11-10(17)18-6/h5-6H,3-4H2,1-2H3,(H,11,17)(H,15,16)
InChIKeyWIMDATLARMOHAR-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.21
Rot. Bonds4

About 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-propan-2-yltriazole-4-carboxylic acid

1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-propan-2-yltriazole-4-carboxylic acid (PubChem CID 55029559) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-propan-2-yltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-propan-2-yltriazole-4-carboxylic acid
PubChem CID55029559
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-propan-2-yltriazole-4-carboxylic acid
SMILESCC(C)c1c(C(=O)O)nnn1CC1CNC(=O)O1
InChIInChI=1S/C10H14N4O4/c1-5(2)8-7(9(15)16)12-13-14(8)4-6-3-11-10(17)18-6/h5-6H,3-4H2,1-2H3,(H,11,17)(H,15,16)
InChIKeyWIMDATLARMOHAR-UHFFFAOYSA-N
XLogP0.21
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-propan-2-yltriazole-4-carboxylic acid?
The IUPAC name of 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-propan-2-yltriazole-4-carboxylic acid (CID 55029559) is 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-propan-2-yltriazole-4-carboxylic acid.
What is the SMILES notation for 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-propan-2-yltriazole-4-carboxylic acid?
The canonical SMILES for 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-propan-2-yltriazole-4-carboxylic acid is CC(C)c1c(C(=O)O)nnn1CC1CNC(=O)O1.
What is the InChIKey of 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-propan-2-yltriazole-4-carboxylic acid?
The InChIKey is WIMDATLARMOHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-5(2)8-7(9(15)16)12-13-14(8)4-6-3-11-10(17)18-6/h5-6H,3-4H2,1-2H3,(H,11,17)(H,15,16).
What are the key properties of 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-propan-2-yltriazole-4-carboxylic acid?
1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-propan-2-yltriazole-4-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-propan-2-yltriazole-4-carboxylic acid is sourced from PubChem (CID 55029559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).