1-(3-methyl-1,2-oxazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one

C28H30N6O4 — CID 158103850

IUPAC1-(3-methyl-1,2-oxazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one
SMILESCc1cc(CC(=O)Cc2ccc([C@H]3CCC[C@H](c4ccc(CC(=O)Cc5cc(C)no5)nn4)C3)nn2)on1
InChIInChI=1S/C28H30N6O4/c1-17-10-25(37-33-17)15-23(35)13-21-6-8-27(31-29-21)19-4-3-5-20(12-19)28-9-7-22(30-32-28)14-24(36)16-26-11-18(2)34-38-26/h6-11,19-20H,3-5,12-16H2,1-2H3/t19-,20-/m0/s1
InChIKeyFPPBSOVMQLAKRX-PMACEKPBSA-N
MW514.59 g/mol
LogP4.01
Rot. Bonds10

About 1-(3-methyl-1,2-oxazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one

1-(3-methyl-1,2-oxazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one (PubChem CID 158103850) has the molecular formula C28H30N6O4 and a molecular weight of 514.59 g/mol. Its IUPAC name is 1-(3-methyl-1,2-oxazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one.

Molecular Properties

Compound Name1-(3-methyl-1,2-oxazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one
PubChem CID158103850
Molecular FormulaC28H30N6O4
Molecular Weight514.59 g/mol
Exact Mass514.23
IUPAC Name1-(3-methyl-1,2-oxazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one
SMILESCc1cc(CC(=O)Cc2ccc([C@H]3CCC[C@H](c4ccc(CC(=O)Cc5cc(C)no5)nn4)C3)nn2)on1
InChIInChI=1S/C28H30N6O4/c1-17-10-25(37-33-17)15-23(35)13-21-6-8-27(31-29-21)19-4-3-5-20(12-19)28-9-7-22(30-32-28)14-24(36)16-26-11-18(2)34-38-26/h6-11,19-20H,3-5,12-16H2,1-2H3/t19-,20-/m0/s1
InChIKeyFPPBSOVMQLAKRX-PMACEKPBSA-N
XLogP4.01
TPSA137.76 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.59
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-(3-methyl-1,2-oxazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-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 1-(3-methyl-1,2-oxazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one?
The IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one (CID 158103850) is 1-(3-methyl-1,2-oxazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one.
What is the SMILES notation for 1-(3-methyl-1,2-oxazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one?
The canonical SMILES for 1-(3-methyl-1,2-oxazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one is Cc1cc(CC(=O)Cc2ccc([C@H]3CCC[C@H](c4ccc(CC(=O)Cc5cc(C)no5)nn4)C3)nn2)on1.
What is the InChIKey of 1-(3-methyl-1,2-oxazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one?
The InChIKey is FPPBSOVMQLAKRX-PMACEKPBSA-N. The full InChI is InChI=1S/C28H30N6O4/c1-17-10-25(37-33-17)15-23(35)13-21-6-8-27(31-29-21)19-4-3-5-20(12-19)28-9-7-22(30-32-28)14-24(36)16-26-11-18(2)34-38-26/h6-11,19-20H,3-5,12-16H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of 1-(3-methyl-1,2-oxazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one?
1-(3-methyl-1,2-oxazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one has a molecular weight of 514.59 g/mol, XLogP of 4.01, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-oxazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one is sourced from PubChem (CID 158103850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).