2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-4-ylpyridazin-3-one

C18H19N5O2 — CID 126936743

IUPAC2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1C1CCC(Nc2ncco2)CC1
InChIInChI=1S/C18H19N5O2/c24-17-6-5-16(13-7-9-19-10-8-13)22-23(17)15-3-1-14(2-4-15)21-18-20-11-12-25-18/h5-12,14-15H,1-4H2,(H,20,21)
InChIKeyGKMYODXFFSAYIZ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.89
Rot. Bonds4

About 2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-4-ylpyridazin-3-one

2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126936743) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126936743
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1C1CCC(Nc2ncco2)CC1
InChIInChI=1S/C18H19N5O2/c24-17-6-5-16(13-7-9-19-10-8-13)22-23(17)15-3-1-14(2-4-15)21-18-20-11-12-25-18/h5-12,14-15H,1-4H2,(H,20,21)
InChIKeyGKMYODXFFSAYIZ-UHFFFAOYSA-N
XLogP2.89
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-4-ylpyridazin-3-one 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 2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-4-ylpyridazin-3-one (CID 126936743) is 2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-4-ylpyridazin-3-one is O=c1ccc(-c2ccncc2)nn1C1CCC(Nc2ncco2)CC1.
What is the InChIKey of 2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is GKMYODXFFSAYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-17-6-5-16(13-7-9-19-10-8-13)22-23(17)15-3-1-14(2-4-15)21-18-20-11-12-25-18/h5-12,14-15H,1-4H2,(H,20,21).
What are the key properties of 2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 337.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126936743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).