N-[2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-methylpyrazole-3-carboxamide

C13H20N4O4 — CID 573225

IUPACN-[2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCN1C(=O)OC(C)(C)C1(C)O
InChIInChI=1S/C13H20N4O4/c1-12(2)13(3,20)17(11(19)21-12)8-7-14-10(18)9-5-6-15-16(9)4/h5-6,20H,7-8H2,1-4H3,(H,14,18)
InChIKeyMAJUTAUHFUBTNP-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.09
Rot. Bonds4

About N-[2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-methylpyrazole-3-carboxamide

N-[2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 573225) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-methylpyrazole-3-carboxamide
PubChem CID573225
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC NameN-[2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCN1C(=O)OC(C)(C)C1(C)O
InChIInChI=1S/C13H20N4O4/c1-12(2)13(3,20)17(11(19)21-12)8-7-14-10(18)9-5-6-15-16(9)4/h5-6,20H,7-8H2,1-4H3,(H,14,18)
InChIKeyMAJUTAUHFUBTNP-UHFFFAOYSA-N
XLogP0.09
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-methylpyrazole-3-carboxamide (CID 573225) is N-[2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCCN1C(=O)OC(C)(C)C1(C)O.
What is the InChIKey of N-[2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is MAJUTAUHFUBTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-12(2)13(3,20)17(11(19)21-12)8-7-14-10(18)9-5-6-15-16(9)4/h5-6,20H,7-8H2,1-4H3,(H,14,18).
What are the key properties of N-[2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-methylpyrazole-3-carboxamide?
N-[2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 573225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).