3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C14H19N5O4 — CID 29088368

IUPAC3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCn1ncc(N2CCN(C(=O)CN3CCOC3=O)CC2)cc1=O
InChIInChI=1S/C14H19N5O4/c1-16-12(20)8-11(9-15-16)17-2-4-18(5-3-17)13(21)10-19-6-7-23-14(19)22/h8-9H,2-7,10H2,1H3
InChIKeyUIQWJKOVAWLQQG-UHFFFAOYSA-N
MW321.34 g/mol
LogP-1.12
Rot. Bonds3

About 3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 29088368) has the molecular formula C14H19N5O4 and a molecular weight of 321.34 g/mol. Its IUPAC name is 3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID29088368
Molecular FormulaC14H19N5O4
Molecular Weight321.34 g/mol
Exact Mass321.14
IUPAC Name3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCn1ncc(N2CCN(C(=O)CN3CCOC3=O)CC2)cc1=O
InChIInChI=1S/C14H19N5O4/c1-16-12(20)8-11(9-15-16)17-2-4-18(5-3-17)13(21)10-19-6-7-23-14(19)22/h8-9H,2-7,10H2,1H3
InChIKeyUIQWJKOVAWLQQG-UHFFFAOYSA-N
XLogP-1.12
TPSA87.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 5-1.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 29088368) is 3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is Cn1ncc(N2CCN(C(=O)CN3CCOC3=O)CC2)cc1=O.
What is the InChIKey of 3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is UIQWJKOVAWLQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O4/c1-16-12(20)8-11(9-15-16)17-2-4-18(5-3-17)13(21)10-19-6-7-23-14(19)22/h8-9H,2-7,10H2,1H3.
What are the key properties of 3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 321.34 g/mol, XLogP of -1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 29088368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).