4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-pyridazin-3-ylpiperazine-1-carboxamide

C15H20N6O2 — CID 75438161

IUPAC4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-pyridazin-3-ylpiperazine-1-carboxamide
SMILESCc1nc(CN2CCN(C(=O)Nc3cccnn3)CC2)oc1C
InChIInChI=1S/C15H20N6O2/c1-11-12(2)23-14(17-11)10-20-6-8-21(9-7-20)15(22)18-13-4-3-5-16-19-13/h3-5H,6-10H2,1-2H3,(H,18,19,22)
InChIKeyQSAQJIKQTHOXEQ-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.43
Rot. Bonds3

About 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-pyridazin-3-ylpiperazine-1-carboxamide

4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-pyridazin-3-ylpiperazine-1-carboxamide (PubChem CID 75438161) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-pyridazin-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-pyridazin-3-ylpiperazine-1-carboxamide
PubChem CID75438161
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-pyridazin-3-ylpiperazine-1-carboxamide
SMILESCc1nc(CN2CCN(C(=O)Nc3cccnn3)CC2)oc1C
InChIInChI=1S/C15H20N6O2/c1-11-12(2)23-14(17-11)10-20-6-8-21(9-7-20)15(22)18-13-4-3-5-16-19-13/h3-5H,6-10H2,1-2H3,(H,18,19,22)
InChIKeyQSAQJIKQTHOXEQ-UHFFFAOYSA-N
XLogP1.43
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-pyridazin-3-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-pyridazin-3-ylpiperazine-1-carboxamide (CID 75438161) is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-pyridazin-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-pyridazin-3-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-pyridazin-3-ylpiperazine-1-carboxamide is Cc1nc(CN2CCN(C(=O)Nc3cccnn3)CC2)oc1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-pyridazin-3-ylpiperazine-1-carboxamide?
The InChIKey is QSAQJIKQTHOXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-11-12(2)23-14(17-11)10-20-6-8-21(9-7-20)15(22)18-13-4-3-5-16-19-13/h3-5H,6-10H2,1-2H3,(H,18,19,22).
What are the key properties of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-pyridazin-3-ylpiperazine-1-carboxamide?
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-pyridazin-3-ylpiperazine-1-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-pyridazin-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 75438161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).