(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone

C15H19N5O2 — CID 56778514

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C15H19N5O2/c1-10-14(11(2)22-19-10)15(21)20-8-5-12(6-9-20)17-13-4-3-7-16-18-13/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,17,18)
InChIKeyJQRQJCVBHJSAFS-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.80
Rot. Bonds3

About (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone (PubChem CID 56778514) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
PubChem CID56778514
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C15H19N5O2/c1-10-14(11(2)22-19-10)15(21)20-8-5-12(6-9-20)17-13-4-3-7-16-18-13/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,17,18)
InChIKeyJQRQJCVBHJSAFS-UHFFFAOYSA-N
XLogP1.80
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone (CID 56778514) is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone is Cc1noc(C)c1C(=O)N1CCC(Nc2cccnn2)CC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone?
The InChIKey is JQRQJCVBHJSAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10-14(11(2)22-19-10)15(21)20-8-5-12(6-9-20)17-13-4-3-7-16-18-13/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,17,18).
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone has a molecular weight of 301.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 56778514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).