3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one

C150H192FN27O16S5 — CID 161131133

About 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one

3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one (PubChem CID 161131133) has the molecular formula C150H192FN27O16S5 and a molecular weight of 2808.69 g/mol. Its IUPAC name is 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one
• PubChem CID: 161131133
• Molecular Formula: C150H192FN27O16S5
• Molecular Weight: 2808.69 g/mol
• Exact Mass: 2806.36
• IUPAC Name: 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one
• SMILES: CC(=O)c1cc(C(C)C)on1.CC(=O)c1cc(C(C)C)on1.CC(C)c1cc(-c2ccccc2)no1.CC(C)c1cc(-c2ccccn2)no1.CC(C)c1cc(C(C)F)co1.CC(C)c1nc(-c2ccccn2)no1.CC(C)c1nnc(-c2cc[nH]c(=O)c2)s1.CC(C)c1nnc(-c2ccccn2)s1.CC(C)c1nnc(-c2cccnc2)s1.CC(C)c1nnc(-c2ccncc2)s1.CCOC(=O)c1cc(C(C)C)on1.CCc1cc(C(C)C)on1.CCc1cc(C(C)C)on1.Cc1ccc(-c2nnc(C(C)C)s2)cn1.Cc1ccoc1C(C)C.Cc1noc(C(C)C)c1C
• InChI: InChI=1S/C12H13NO.C11H13N3S.C11H12N2O.C10H11N3OS.C10H11N3O.3C10H11N3S.C9H13FO.C9H13NO3.2C8H11NO2.3C8H13NO.C8H12O/c1-9(2)12-8-11(13-14-12)10-6-4-3-5-7-10;1-7(2)10-13-14-11(15-10)9-5-4-8(3)12-6-9;1-8(2)11-7-10(13-14-11)9-5-3-4-6-12-9;1-6(2)9-12-13-10(15-9)7-3-4-11-8(14)5-7;1-7(2)10-12-9(13-14-10)8-5-3-4-6-11-8;1-7(2)9-12-13-10(14-9)8-3-5-11-6-4-8;1-7(2)9-12-13-10(14-9)8-4-3-5-11-6-8;1-7(2)9-12-13-10(14-9)8-5-3-4-6-11-8;1-6(2)9-4-8(5-11-9)7(3)10;1-4-12-9(11)7-5-8(6(2)3)13-10-7;2*1-5(2)8-4-7(6(3)10)9-11-8;1-5(2)8-6(3)7(4)9-10-8;2*1-4-7-5-8(6(2)3)10-9-7;1-6(2)8-7(3)4-5-9-8/h3-9H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3,(H,11,14);4*3-7H,1-2H3;4-7H,1-3H3;5-6H,4H2,1-3H3;2*4-5H,1-3H3;5H,1-4H3;2*5-6H,4H2,1-3H3;4-6H,1-3H3
• InChIKey: UMEXNKVLOLNLSZ-UHFFFAOYSA-N
• XLogP: 41.06
• TPSA: 572.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 47
• Rotatable Bonds: 31
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2808.69
LogP ≤ 5	41.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one?

The IUPAC name of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one (CID 161131133) is 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one.

What is the SMILES notation for 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one?

The canonical SMILES for 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one is CC(=O)c1cc(C(C)C)on1.CC(=O)c1cc(C(C)C)on1.CC(C)c1cc(-c2ccccc2)no1.CC(C)c1cc(-c2ccccn2)no1.CC(C)c1cc(C(C)F)co1.CC(C)c1nc(-c2ccccn2)no1.CC(C)c1nnc(-c2cc[nH]c(=O)c2)s1.CC(C)c1nnc(-c2ccccn2)s1.CC(C)c1nnc(-c2cccnc2)s1.CC(C)c1nnc(-c2ccncc2)s1.CCOC(=O)c1cc(C(C)C)on1.CCc1cc(C(C)C)on1.CCc1cc(C(C)C)on1.Cc1ccc(-c2nnc(C(C)C)s2)cn1.Cc1ccoc1C(C)C.Cc1noc(C(C)C)c1C.

What is the InChIKey of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one?

The InChIKey is UMEXNKVLOLNLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO.C11H13N3S.C11H12N2O.C10H11N3OS.C10H11N3O.3C10H11N3S.C9H13FO.C9H13NO3.2C8H11NO2.3C8H13NO.C8H12O/c1-9(2)12-8-11(13-14-12)10-6-4-3-5-7-10;1-7(2)10-13-14-11(15-10)9-5-4-8(3)12-6-9;1-8(2)11-7-10(13-14-11)9-5-3-4-6-12-9;1-6(2)9-12-13-10(15-9)7-3-4-11-8(14)5-7;1-7(2)10-12-9(13-14-10)8-5-3-4-6-11-8;1-7(2)9-12-13-10(14-9)8-3-5-11-6-4-8;1-7(2)9-12-13-10(14-9)8-4-3-5-11-6-8;1-7(2)9-12-13-10(14-9)8-5-3-4-6-11-8;1-6(2)9-4-8(5-11-9)7(3)10;1-4-12-9(11)7-5-8(6(2)3)13-10-7;2*1-5(2)8-4-7(6(3)10)9-11-8;1-5(2)8-6(3)7(4)9-10-8;2*1-4-7-5-8(6(2)3)10-9-7;1-6(2)8-7(3)4-5-9-8/h3-9H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3,(H,11,14);4*3-7H,1-2H3;4-7H,1-3H3;5-6H,4H2,1-3H3;2*4-5H,1-3H3;5H,1-4H3;2*5-6H,4H2,1-3H3;4-6H,1-3H3.

What are the key properties of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one?

3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one has a molecular weight of 2808.69 g/mol, XLogP of 41.06, 31 rotatable bonds, 1 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 161131133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).