3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclobutyl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclopropyl)-1,2-oxazole;bis(5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole);3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;pentakis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole

C208H348FN25O15S4 — CID 163943145

About 3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclobutyl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclopropyl)-1,2-oxazole;bis(5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole);3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;pentakis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole

3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclobutyl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclopropyl)-1,2-oxazole;bis(5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole);3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;pentakis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole (PubChem CID 163943145) has the molecular formula C208H348FN25O15S4 and a molecular weight of 3586.50 g/mol. Its IUPAC name is 3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclobutyl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclopropyl)-1,2-oxazole;bis(5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole);3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;pentakis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole.

Molecular Properties

• Compound Name: 3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclobutyl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclopropyl)-1,2-oxazole;bis(5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole);3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;pentakis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole
• PubChem CID: 163943145
• Molecular Formula: C208H348FN25O15S4
• Molecular Weight: 3586.50 g/mol
• Exact Mass: 3583.61
• IUPAC Name: 3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclobutyl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclopropyl)-1,2-oxazole;bis(5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole);3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;pentakis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole
• SMILES: CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)sn1.CC(C)(C)c1cc(C(C)(C)F)no1.CC(C)(C)c1cc(C2(C)CC2)no1.CC(C)(C)c1cc(C2(C)CC2)no1.CC(C)(C)c1cc(C2(C)CC2)on1.CC(C)(C)c1cc(C2(C)CCC2)on1.CC(C)(C)c1cc(C2CC2)no1.CC(C)(C)c1cc(C2CC2)on1.CC(C)(C)c1csc(C(C)(C)C)n1.CC(C)(C)c1ncn(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1nnc(C(C)(C)C)s1.CC(C)(C)c1nsc(C(C)(C)C)n1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)on1
• InChI: InChI=1S/C12H19NO.3C11H17NO.5C11H19NO.2C11H19NS.C10H16FNO.C10H19N3.C10H18N2O.2C10H18N2S.2C10H15NO.2C8H13NO/c1-11(2,3)9-8-10(14-13-9)12(4)6-5-7-12;2*1-10(2,3)9-7-8(12-13-9)11(4)5-6-11;1-10(2,3)8-7-9(13-12-8)11(4)5-6-11;5*1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-10(2,3)8-7-13-9(12-8)11(4,5)6;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-9(2,3)8-6-7(12-13-8)10(4,5)11;1-9(2,3)8-11-7-13(12-8)10(4,5)6;2*1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-9(2,3)7-11-8(13-12-7)10(4,5)6;1-10(2,3)9-6-8(12-11-9)7-4-5-7;1-10(2,3)9-6-8(11-12-9)7-4-5-7;1-6-5-7(9-10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h8H,5-7H2,1-4H3;3*7H,5-6H2,1-4H3;7*7H,1-6H3;6H,1-5H3;7H,1-6H3;3*1-6H3;2*6-7H,4-5H2,1-3H3;2*5H,1-4H3
• InChIKey: RSUFDZHFRKPYEJ-UHFFFAOYSA-N
• XLogP: 61.01
• TPSA: 511.39 Ų
• H-Bond Acceptors: 44
• Rotatable Bonds: 7
• Heavy Atoms: 253
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3586.50
LogP ≤ 5	61.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclobutyl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclopropyl)-1,2-oxazole;bis(5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole);3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;pentakis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole?

The IUPAC name of 3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclobutyl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclopropyl)-1,2-oxazole;bis(5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole);3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;pentakis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole (CID 163943145) is 3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclobutyl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclopropyl)-1,2-oxazole;bis(5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole);3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;pentakis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole.

What is the SMILES notation for 3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclobutyl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclopropyl)-1,2-oxazole;bis(5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole);3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;pentakis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole?

The canonical SMILES for 3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclobutyl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclopropyl)-1,2-oxazole;bis(5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole);3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;pentakis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole is CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)sn1.CC(C)(C)c1cc(C(C)(C)F)no1.CC(C)(C)c1cc(C2(C)CC2)no1.CC(C)(C)c1cc(C2(C)CC2)no1.CC(C)(C)c1cc(C2(C)CC2)on1.CC(C)(C)c1cc(C2(C)CCC2)on1.CC(C)(C)c1cc(C2CC2)no1.CC(C)(C)c1cc(C2CC2)on1.CC(C)(C)c1csc(C(C)(C)C)n1.CC(C)(C)c1ncn(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1nnc(C(C)(C)C)s1.CC(C)(C)c1nsc(C(C)(C)C)n1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)on1.

What is the InChIKey of 3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclobutyl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclopropyl)-1,2-oxazole;bis(5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole);3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;pentakis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole?

The InChIKey is RSUFDZHFRKPYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.3C11H17NO.5C11H19NO.2C11H19NS.C10H16FNO.C10H19N3.C10H18N2O.2C10H18N2S.2C10H15NO.2C8H13NO/c1-11(2,3)9-8-10(14-13-9)12(4)6-5-7-12;2*1-10(2,3)9-7-8(12-13-9)11(4)5-6-11;1-10(2,3)8-7-9(13-12-8)11(4)5-6-11;5*1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-10(2,3)8-7-13-9(12-8)11(4,5)6;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-9(2,3)8-6-7(12-13-8)10(4,5)11;1-9(2,3)8-11-7-13(12-8)10(4,5)6;2*1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-9(2,3)7-11-8(13-12-7)10(4,5)6;1-10(2,3)9-6-8(12-11-9)7-4-5-7;1-10(2,3)9-6-8(11-12-9)7-4-5-7;1-6-5-7(9-10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h8H,5-7H2,1-4H3;3*7H,5-6H2,1-4H3;7*7H,1-6H3;6H,1-5H3;7H,1-6H3;3*1-6H3;2*6-7H,4-5H2,1-3H3;2*5H,1-4H3.

What are the key properties of 3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclobutyl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclopropyl)-1,2-oxazole;bis(5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole);3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;pentakis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole?

3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclobutyl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclopropyl)-1,2-oxazole;bis(5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole);3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;pentakis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole has a molecular weight of 3586.50 g/mol, XLogP of 61.01, 7 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-5-cyclopropyl-1,2-oxazole;5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-3-(2-fluoropropan-2-yl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclobutyl)-1,2-oxazole;3-tert-butyl-5-(1-methylcyclopropyl)-1,2-oxazole;bis(5-tert-butyl-3-(1-methylcyclopropyl)-1,2-oxazole);3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;pentakis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1,2,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-1,2-thiazole;1,3-ditert-butyl-1,2,4-triazole is sourced from PubChem (CID 163943145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).