2,4-di(propan-2-yl)cyclohexa-2,4-dien-1-one;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)-1H-pyridin-2-one;4,6-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole

C151H247N21O7S5 — CID 158021974

About 2,4-di(propan-2-yl)cyclohexa-2,4-dien-1-one;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)-1H-pyridin-2-one;4,6-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole

2,4-di(propan-2-yl)cyclohexa-2,4-dien-1-one;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)-1H-pyridin-2-one;4,6-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole (PubChem CID 158021974) has the molecular formula C151H247N21O7S5 and a molecular weight of 2629.11 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)cyclohexa-2,4-dien-1-one;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)-1H-pyridin-2-one;4,6-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole.

Molecular Properties

• Compound Name: 2,4-di(propan-2-yl)cyclohexa-2,4-dien-1-one;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)-1H-pyridin-2-one;4,6-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole
• PubChem CID: 158021974
• Molecular Formula: C151H247N21O7S5
• Molecular Weight: 2629.11 g/mol
• Exact Mass: 2626.82
• IUPAC Name: 2,4-di(propan-2-yl)cyclohexa-2,4-dien-1-one;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)-1H-pyridin-2-one;4,6-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole
• SMILES: CC(C)C1=CCC(=O)C(C(C)C)=C1.CC(C)c1cc(C(C)C)[nH]c(=O)c1.CC(C)c1cc(C(C)C)ncn1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)sn1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cncc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1
• InChI: InChI=1S/C12H18O.C11H17NO.2C11H17N.2C10H16N2.3C9H15NO.3C9H15NS.2C8H14N2O.2C8H14N2S/c1-8(2)10-5-6-12(13)11(7-10)9(3)4;1-7(2)9-5-10(8(3)4)12-11(13)6-9;1-8(2)10-5-6-12-11(7-10)9(3)4;1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-11-6-10(12-9)8(3)4;1-7(2)9-5-10(8(3)4)12-6-11-9;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7/h5,7-9H,6H2,1-4H3;5-8H,1-4H3,(H,12,13);2*5-9H,1-4H3;2*5-8H,1-4H3;6*5-7H,1-4H3;4*5-6H,1-4H3
• InChIKey: FGDYCXHGNXXIRI-UHFFFAOYSA-N
• XLogP: 46.99
• TPSA: 373.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 32
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2629.11
LogP ≤ 5	46.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)cyclohexa-2,4-dien-1-one;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)-1H-pyridin-2-one;4,6-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole?

The IUPAC name of 2,4-di(propan-2-yl)cyclohexa-2,4-dien-1-one;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)-1H-pyridin-2-one;4,6-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole (CID 158021974) is 2,4-di(propan-2-yl)cyclohexa-2,4-dien-1-one;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)-1H-pyridin-2-one;4,6-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole.

What is the SMILES notation for 2,4-di(propan-2-yl)cyclohexa-2,4-dien-1-one;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)-1H-pyridin-2-one;4,6-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole?

The canonical SMILES for 2,4-di(propan-2-yl)cyclohexa-2,4-dien-1-one;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)-1H-pyridin-2-one;4,6-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole is CC(C)C1=CCC(=O)C(C(C)C)=C1.CC(C)c1cc(C(C)C)[nH]c(=O)c1.CC(C)c1cc(C(C)C)ncn1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)sn1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cncc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.

What is the InChIKey of 2,4-di(propan-2-yl)cyclohexa-2,4-dien-1-one;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)-1H-pyridin-2-one;4,6-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole?

The InChIKey is FGDYCXHGNXXIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.C11H17NO.2C11H17N.2C10H16N2.3C9H15NO.3C9H15NS.2C8H14N2O.2C8H14N2S/c1-8(2)10-5-6-12(13)11(7-10)9(3)4;1-7(2)9-5-10(8(3)4)12-11(13)6-9;1-8(2)10-5-6-12-11(7-10)9(3)4;1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-11-6-10(12-9)8(3)4;1-7(2)9-5-10(8(3)4)12-6-11-9;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7/h5,7-9H,6H2,1-4H3;5-8H,1-4H3,(H,12,13);2*5-9H,1-4H3;2*5-8H,1-4H3;6*5-7H,1-4H3;4*5-6H,1-4H3.

What are the key properties of 2,4-di(propan-2-yl)cyclohexa-2,4-dien-1-one;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)-1H-pyridin-2-one;4,6-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole?

2,4-di(propan-2-yl)cyclohexa-2,4-dien-1-one;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)-1H-pyridin-2-one;4,6-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole has a molecular weight of 2629.11 g/mol, XLogP of 46.99, 32 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-di(propan-2-yl)cyclohexa-2,4-dien-1-one;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,6-di(propan-2-yl)pyrazine;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)-1H-pyridin-2-one;4,6-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole is sourced from PubChem (CID 158021974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).