1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-N-[(2-propan-2-ylphenyl)methyl]triazole-4-carboxamide

C17H21N5O3 — CID 155953360

IUPAC1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-N-[(2-propan-2-ylphenyl)methyl]triazole-4-carboxamide
SMILESCC(C)c1ccccc1CNC(=O)c1cn(CC2CNC(=O)O2)nn1
InChIInChI=1S/C17H21N5O3/c1-11(2)14-6-4-3-5-12(14)7-18-16(23)15-10-22(21-20-15)9-13-8-19-17(24)25-13/h3-6,10-11,13H,7-9H2,1-2H3,(H,18,23)(H,19,24)
InChIKeyVYTASUNMLVTXBC-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.44
Rot. Bonds6

About 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-N-[(2-propan-2-ylphenyl)methyl]triazole-4-carboxamide

1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-N-[(2-propan-2-ylphenyl)methyl]triazole-4-carboxamide (PubChem CID 155953360) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-N-[(2-propan-2-ylphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-N-[(2-propan-2-ylphenyl)methyl]triazole-4-carboxamide
PubChem CID155953360
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-N-[(2-propan-2-ylphenyl)methyl]triazole-4-carboxamide
SMILESCC(C)c1ccccc1CNC(=O)c1cn(CC2CNC(=O)O2)nn1
InChIInChI=1S/C17H21N5O3/c1-11(2)14-6-4-3-5-12(14)7-18-16(23)15-10-22(21-20-15)9-13-8-19-17(24)25-13/h3-6,10-11,13H,7-9H2,1-2H3,(H,18,23)(H,19,24)
InChIKeyVYTASUNMLVTXBC-UHFFFAOYSA-N
XLogP1.44
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.44
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]-N-[(2-propan-2-ylphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-N-[(2-propan-2-ylphenyl)methyl]triazole-4-carboxamide (CID 155953360) is 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-N-[(2-propan-2-ylphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-N-[(2-propan-2-ylphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-N-[(2-propan-2-ylphenyl)methyl]triazole-4-carboxamide is CC(C)c1ccccc1CNC(=O)c1cn(CC2CNC(=O)O2)nn1.
What is the InChIKey of 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-N-[(2-propan-2-ylphenyl)methyl]triazole-4-carboxamide?
The InChIKey is VYTASUNMLVTXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11(2)14-6-4-3-5-12(14)7-18-16(23)15-10-22(21-20-15)9-13-8-19-17(24)25-13/h3-6,10-11,13H,7-9H2,1-2H3,(H,18,23)(H,19,24).
What are the key properties of 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-N-[(2-propan-2-ylphenyl)methyl]triazole-4-carboxamide?
1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-N-[(2-propan-2-ylphenyl)methyl]triazole-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 1.44, 6 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]-N-[(2-propan-2-ylphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 155953360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).