N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide

C11H14N4O4 — CID 119105412

IUPACN-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCN2C(=O)COC2=O)nn1C
InChIInChI=1S/C11H14N4O4/c1-7-5-8(13-14(7)2)10(17)12-3-4-15-9(16)6-19-11(15)18/h5H,3-4,6H2,1-2H3,(H,12,17)
InChIKeyHPADCRJBDHBWCP-UHFFFAOYSA-N
MW266.26 g/mol
LogP-0.56
Rot. Bonds4

About N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide

N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 119105412) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID119105412
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC NameN-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCN2C(=O)COC2=O)nn1C
InChIInChI=1S/C11H14N4O4/c1-7-5-8(13-14(7)2)10(17)12-3-4-15-9(16)6-19-11(15)18/h5H,3-4,6H2,1-2H3,(H,12,17)
InChIKeyHPADCRJBDHBWCP-UHFFFAOYSA-N
XLogP-0.56
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide (CID 119105412) is N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCCN2C(=O)COC2=O)nn1C.
What is the InChIKey of N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is HPADCRJBDHBWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-7-5-8(13-14(7)2)10(17)12-3-4-15-9(16)6-19-11(15)18/h5H,3-4,6H2,1-2H3,(H,12,17).
What are the key properties of N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide?
N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 266.26 g/mol, XLogP of -0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 119105412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).