N-cyclohexyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide

C22H26N4O3S — CID 110215344

IUPACN-cyclohexyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1cc(-c2cc(=O)n(C(C)C(=O)NC3CCCCC3)nc2-c2ccc(C)s2)on1
InChIInChI=1S/C22H26N4O3S/c1-13-11-18(29-25-13)17-12-20(27)26(24-21(17)19-10-9-14(2)30-19)15(3)22(28)23-16-7-5-4-6-8-16/h9-12,15-16H,4-8H2,1-3H3,(H,23,28)
InChIKeyLZCZICKXSLVXQA-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.25
Rot. Bonds5

About N-cyclohexyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide

N-cyclohexyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 110215344) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide
PubChem CID110215344
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-cyclohexyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1cc(-c2cc(=O)n(C(C)C(=O)NC3CCCCC3)nc2-c2ccc(C)s2)on1
InChIInChI=1S/C22H26N4O3S/c1-13-11-18(29-25-13)17-12-20(27)26(24-21(17)19-10-9-14(2)30-19)15(3)22(28)23-16-7-5-4-6-8-16/h9-12,15-16H,4-8H2,1-3H3,(H,23,28)
InChIKeyLZCZICKXSLVXQA-UHFFFAOYSA-N
XLogP4.25
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclohexyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide 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 N-cyclohexyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide (CID 110215344) is N-cyclohexyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide is Cc1cc(-c2cc(=O)n(C(C)C(=O)NC3CCCCC3)nc2-c2ccc(C)s2)on1.
What is the InChIKey of N-cyclohexyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is LZCZICKXSLVXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-13-11-18(29-25-13)17-12-20(27)26(24-21(17)19-10-9-14(2)30-19)15(3)22(28)23-16-7-5-4-6-8-16/h9-12,15-16H,4-8H2,1-3H3,(H,23,28).
What are the key properties of N-cyclohexyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide?
N-cyclohexyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 426.54 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 110215344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).