1-(3-chloro-1,2-oxazol-5-yl)-4-methylpentan-3-one;1-(1,1-dioxothiolan-3-yl)-3-methylbutan-2-one;1-imidazo[1,2-a]pyrimidin-2-yl-4-methylpentan-3-one;methane;1-(5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)butan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-thiazol-4-yl)butan-2-one;2-(3-methyl-2-oxobutyl)-6-phenyl-4,5-dihydropyridazin-3-one;3-methyl-1-(4-pyridin-2-yltriazol-1-yl)butan-2-one;4-methyl-1-pyrimidin-5-ylpentan-3-one;3-methyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butan-2-one

C135H199ClF3N17O16S2 — CID 158313228

About 1-(3-chloro-1,2-oxazol-5-yl)-4-methylpentan-3-one;1-(1,1-dioxothiolan-3-yl)-3-methylbutan-2-one;1-imidazo[1,2-a]pyrimidin-2-yl-4-methylpentan-3-one;methane;1-(5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)butan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-thiazol-4-yl)butan-2-one;2-(3-methyl-2-oxobutyl)-6-phenyl-4,5-dihydropyridazin-3-one;3-methyl-1-(4-pyridin-2-yltriazol-1-yl)butan-2-one;4-methyl-1-pyrimidin-5-ylpentan-3-one;3-methyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butan-2-one

1-(3-chloro-1,2-oxazol-5-yl)-4-methylpentan-3-one;1-(1,1-dioxothiolan-3-yl)-3-methylbutan-2-one;1-imidazo[1,2-a]pyrimidin-2-yl-4-methylpentan-3-one;methane;1-(5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)butan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-thiazol-4-yl)butan-2-one;2-(3-methyl-2-oxobutyl)-6-phenyl-4,5-dihydropyridazin-3-one;3-methyl-1-(4-pyridin-2-yltriazol-1-yl)butan-2-one;4-methyl-1-pyrimidin-5-ylpentan-3-one;3-methyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butan-2-one (PubChem CID 158313228) has the molecular formula C135H199ClF3N17O16S2 and a molecular weight of 2472.76 g/mol. Its IUPAC name is 1-(3-chloro-1,2-oxazol-5-yl)-4-methylpentan-3-one;1-(1,1-dioxothiolan-3-yl)-3-methylbutan-2-one;1-imidazo[1,2-a]pyrimidin-2-yl-4-methylpentan-3-one;methane;1-(5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)butan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-thiazol-4-yl)butan-2-one;2-(3-methyl-2-oxobutyl)-6-phenyl-4,5-dihydropyridazin-3-one;3-methyl-1-(4-pyridin-2-yltriazol-1-yl)butan-2-one;4-methyl-1-pyrimidin-5-ylpentan-3-one;3-methyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butan-2-one.

Molecular Properties

• Compound Name: 1-(3-chloro-1,2-oxazol-5-yl)-4-methylpentan-3-one;1-(1,1-dioxothiolan-3-yl)-3-methylbutan-2-one;1-imidazo[1,2-a]pyrimidin-2-yl-4-methylpentan-3-one;methane;1-(5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)butan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-thiazol-4-yl)butan-2-one;2-(3-methyl-2-oxobutyl)-6-phenyl-4,5-dihydropyridazin-3-one;3-methyl-1-(4-pyridin-2-yltriazol-1-yl)butan-2-one;4-methyl-1-pyrimidin-5-ylpentan-3-one;3-methyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butan-2-one
• PubChem CID: 158313228
• Molecular Formula: C135H199ClF3N17O16S2
• Molecular Weight: 2472.76 g/mol
• Exact Mass: 2470.44
• IUPAC Name: 1-(3-chloro-1,2-oxazol-5-yl)-4-methylpentan-3-one;1-(1,1-dioxothiolan-3-yl)-3-methylbutan-2-one;1-imidazo[1,2-a]pyrimidin-2-yl-4-methylpentan-3-one;methane;1-(5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)butan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-thiazol-4-yl)butan-2-one;2-(3-methyl-2-oxobutyl)-6-phenyl-4,5-dihydropyridazin-3-one;3-methyl-1-(4-pyridin-2-yltriazol-1-yl)butan-2-one;4-methyl-1-pyrimidin-5-ylpentan-3-one;3-methyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butan-2-one
• SMILES: C.C.C.C.C.C.C.C.C.C.CC(C)C(=O)CC1CCS(=O)(=O)C1.CC(C)C(=O)CCc1cc(Cl)no1.CC(C)C(=O)CCc1cn2cccnc2n1.CC(C)C(=O)CCc1cncnc1.CC(C)C(=O)CN1N=C(c2ccccc2)CCC1=O.CC(C)C(=O)Cn1cc(-c2ccccn2)nn1.CC(C)C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2.COc1ccc2[nH]c(C)c(CC(=O)C(C)C)c2c1.Cc1oc(-c2ccccc2)nc1CC(=O)C(C)C.Cc1sc(-c2ccccc2)nc1CC(=O)C(C)C
• InChI: InChI=1S/C15H18N2O2.C15H19NO2.C15H17NO2.C15H17NOS.C13H17F3N2O.C12H14N4O.C12H15N3O.C10H14N2O.C9H12ClNO2.C9H16O3S.10CH4/c1-11(2)14(18)10-17-15(19)9-8-13(16-17)12-6-4-3-5-7-12;1-9(2)15(17)8-12-10(3)16-14-6-5-11(18-4)7-13(12)14;2*1-10(2)14(17)9-13-11(3)18-15(16-13)12-7-5-4-6-8-12;1-8(2)11(19)7-18-10-6-4-3-5-9(10)12(17-18)13(14,15)16;1-9(2)12(17)8-16-7-11(14-15-16)10-5-3-4-6-13-10;1-9(2)11(16)5-4-10-8-15-7-3-6-13-12(15)14-10;1-8(2)10(13)4-3-9-5-11-7-12-6-9;1-6(2)8(12)4-3-7-5-9(10)11-13-7;1-7(2)9(10)5-8-3-4-13(11,12)6-8;;;;;;;;;;/h3-7,11H,8-10H2,1-2H3;5-7,9,16H,8H2,1-4H3;2*4-8,10H,9H2,1-3H3;8H,3-7H2,1-2H3;3-7,9H,8H2,1-2H3;3,6-9H,4-5H2,1-2H3;5-8H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;7-8H,3-6H2,1-2H3;10*1H4
• InChIKey: GNXYEGTXXIIYRJ-UHFFFAOYSA-N
• XLogP: 30.77
• TPSA: 444.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 38
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2472.76
LogP ≤ 5	30.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-1,2-oxazol-5-yl)-4-methylpentan-3-one;1-(1,1-dioxothiolan-3-yl)-3-methylbutan-2-one;1-imidazo[1,2-a]pyrimidin-2-yl-4-methylpentan-3-one;methane;1-(5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)butan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-thiazol-4-yl)butan-2-one;2-(3-methyl-2-oxobutyl)-6-phenyl-4,5-dihydropyridazin-3-one;3-methyl-1-(4-pyridin-2-yltriazol-1-yl)butan-2-one;4-methyl-1-pyrimidin-5-ylpentan-3-one;3-methyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butan-2-one?

The IUPAC name of 1-(3-chloro-1,2-oxazol-5-yl)-4-methylpentan-3-one;1-(1,1-dioxothiolan-3-yl)-3-methylbutan-2-one;1-imidazo[1,2-a]pyrimidin-2-yl-4-methylpentan-3-one;methane;1-(5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)butan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-thiazol-4-yl)butan-2-one;2-(3-methyl-2-oxobutyl)-6-phenyl-4,5-dihydropyridazin-3-one;3-methyl-1-(4-pyridin-2-yltriazol-1-yl)butan-2-one;4-methyl-1-pyrimidin-5-ylpentan-3-one;3-methyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butan-2-one (CID 158313228) is 1-(3-chloro-1,2-oxazol-5-yl)-4-methylpentan-3-one;1-(1,1-dioxothiolan-3-yl)-3-methylbutan-2-one;1-imidazo[1,2-a]pyrimidin-2-yl-4-methylpentan-3-one;methane;1-(5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)butan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-thiazol-4-yl)butan-2-one;2-(3-methyl-2-oxobutyl)-6-phenyl-4,5-dihydropyridazin-3-one;3-methyl-1-(4-pyridin-2-yltriazol-1-yl)butan-2-one;4-methyl-1-pyrimidin-5-ylpentan-3-one;3-methyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butan-2-one.

What is the SMILES notation for 1-(3-chloro-1,2-oxazol-5-yl)-4-methylpentan-3-one;1-(1,1-dioxothiolan-3-yl)-3-methylbutan-2-one;1-imidazo[1,2-a]pyrimidin-2-yl-4-methylpentan-3-one;methane;1-(5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)butan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-thiazol-4-yl)butan-2-one;2-(3-methyl-2-oxobutyl)-6-phenyl-4,5-dihydropyridazin-3-one;3-methyl-1-(4-pyridin-2-yltriazol-1-yl)butan-2-one;4-methyl-1-pyrimidin-5-ylpentan-3-one;3-methyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butan-2-one?

The canonical SMILES for 1-(3-chloro-1,2-oxazol-5-yl)-4-methylpentan-3-one;1-(1,1-dioxothiolan-3-yl)-3-methylbutan-2-one;1-imidazo[1,2-a]pyrimidin-2-yl-4-methylpentan-3-one;methane;1-(5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)butan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-thiazol-4-yl)butan-2-one;2-(3-methyl-2-oxobutyl)-6-phenyl-4,5-dihydropyridazin-3-one;3-methyl-1-(4-pyridin-2-yltriazol-1-yl)butan-2-one;4-methyl-1-pyrimidin-5-ylpentan-3-one;3-methyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butan-2-one is C.C.C.C.C.C.C.C.C.C.CC(C)C(=O)CC1CCS(=O)(=O)C1.CC(C)C(=O)CCc1cc(Cl)no1.CC(C)C(=O)CCc1cn2cccnc2n1.CC(C)C(=O)CCc1cncnc1.CC(C)C(=O)CN1N=C(c2ccccc2)CCC1=O.CC(C)C(=O)Cn1cc(-c2ccccn2)nn1.CC(C)C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2.COc1ccc2[nH]c(C)c(CC(=O)C(C)C)c2c1.Cc1oc(-c2ccccc2)nc1CC(=O)C(C)C.Cc1sc(-c2ccccc2)nc1CC(=O)C(C)C.

What is the InChIKey of 1-(3-chloro-1,2-oxazol-5-yl)-4-methylpentan-3-one;1-(1,1-dioxothiolan-3-yl)-3-methylbutan-2-one;1-imidazo[1,2-a]pyrimidin-2-yl-4-methylpentan-3-one;methane;1-(5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)butan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-thiazol-4-yl)butan-2-one;2-(3-methyl-2-oxobutyl)-6-phenyl-4,5-dihydropyridazin-3-one;3-methyl-1-(4-pyridin-2-yltriazol-1-yl)butan-2-one;4-methyl-1-pyrimidin-5-ylpentan-3-one;3-methyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butan-2-one?

The InChIKey is GNXYEGTXXIIYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2.C15H19NO2.C15H17NO2.C15H17NOS.C13H17F3N2O.C12H14N4O.C12H15N3O.C10H14N2O.C9H12ClNO2.C9H16O3S.10CH4/c1-11(2)14(18)10-17-15(19)9-8-13(16-17)12-6-4-3-5-7-12;1-9(2)15(17)8-12-10(3)16-14-6-5-11(18-4)7-13(12)14;2*1-10(2)14(17)9-13-11(3)18-15(16-13)12-7-5-4-6-8-12;1-8(2)11(19)7-18-10-6-4-3-5-9(10)12(17-18)13(14,15)16;1-9(2)12(17)8-16-7-11(14-15-16)10-5-3-4-6-13-10;1-9(2)11(16)5-4-10-8-15-7-3-6-13-12(15)14-10;1-8(2)10(13)4-3-9-5-11-7-12-6-9;1-6(2)8(12)4-3-7-5-9(10)11-13-7;1-7(2)9(10)5-8-3-4-13(11,12)6-8;;;;;;;;;;/h3-7,11H,8-10H2,1-2H3;5-7,9,16H,8H2,1-4H3;2*4-8,10H,9H2,1-3H3;8H,3-7H2,1-2H3;3-7,9H,8H2,1-2H3;3,6-9H,4-5H2,1-2H3;5-8H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;7-8H,3-6H2,1-2H3;10*1H4.

What are the key properties of 1-(3-chloro-1,2-oxazol-5-yl)-4-methylpentan-3-one;1-(1,1-dioxothiolan-3-yl)-3-methylbutan-2-one;1-imidazo[1,2-a]pyrimidin-2-yl-4-methylpentan-3-one;methane;1-(5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)butan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-thiazol-4-yl)butan-2-one;2-(3-methyl-2-oxobutyl)-6-phenyl-4,5-dihydropyridazin-3-one;3-methyl-1-(4-pyridin-2-yltriazol-1-yl)butan-2-one;4-methyl-1-pyrimidin-5-ylpentan-3-one;3-methyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butan-2-one?

1-(3-chloro-1,2-oxazol-5-yl)-4-methylpentan-3-one;1-(1,1-dioxothiolan-3-yl)-3-methylbutan-2-one;1-imidazo[1,2-a]pyrimidin-2-yl-4-methylpentan-3-one;methane;1-(5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)butan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-thiazol-4-yl)butan-2-one;2-(3-methyl-2-oxobutyl)-6-phenyl-4,5-dihydropyridazin-3-one;3-methyl-1-(4-pyridin-2-yltriazol-1-yl)butan-2-one;4-methyl-1-pyrimidin-5-ylpentan-3-one;3-methyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butan-2-one has a molecular weight of 2472.76 g/mol, XLogP of 30.77, 38 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-1,2-oxazol-5-yl)-4-methylpentan-3-one;1-(1,1-dioxothiolan-3-yl)-3-methylbutan-2-one;1-imidazo[1,2-a]pyrimidin-2-yl-4-methylpentan-3-one;methane;1-(5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)butan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-thiazol-4-yl)butan-2-one;2-(3-methyl-2-oxobutyl)-6-phenyl-4,5-dihydropyridazin-3-one;3-methyl-1-(4-pyridin-2-yltriazol-1-yl)butan-2-one;4-methyl-1-pyrimidin-5-ylpentan-3-one;3-methyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butan-2-one is sourced from PubChem (CID 158313228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).