2-tert-butyl-5-propan-2-yl-1,3,4-oxadiazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-4-propan-2-yltriazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3-(1-methylcyclopropyl)-5-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2-oxazole;3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine

C102H174N18O10 — CID 167547295

IUPAC2-tert-butyl-5-propan-2-yl-1,3,4-oxadiazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-4-propan-2-yltriazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3-(1-methylcyclopropyl)-5-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2-oxazole;3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine
SMILESCC(C)N1CC(OC(C)(C)C)C1.CC(C)c1cc(C(C)(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C2(C)CC2)on1.CC(C)c1cc(C2CC2)no1.CC(C)c1cn(C(C)(C)C)nn1.CC(C)c1nc(C(C)(C)C)no1.CC(C)c1nc(C2(C)CC2)no1.CC(C)c1nnc(C(C)(C)C)o1.CC(C)c1noc(C(C)(C)C)n1.CC(C)c1noc(C2(C)CC2)n1
InChIInChI=1S/C10H15NO.C10H21NO.C10H17NO.C9H17N3.2C9H14N2O.3C9H16N2O.C9H13NO.C9H15NO/c1-7(2)8-6-9(12-11-8)10(3)4-5-10;1-8(2)11-6-9(7-11)12-10(3,4)5;1-7(2)8-6-9(12-11-8)10(3,4)5;1-7(2)8-6-12(11-10-8)9(3,4)5;1-6(2)7-10-8(11-12-7)9(3)4-5-9;1-6(2)7-10-8(12-11-7)9(3)4-5-9;1-6(2)7-10-11-8(12-7)9(3,4)5;1-6(2)7-10-8(11-12-7)9(3,4)5;1-6(2)7-10-8(12-11-7)9(3,4)5;1-6(2)9-5-8(10-11-9)7-3-4-7;1-6(2)8-5-9(7(3)4)11-10-8/h6-7H,4-5H2,1-3H3;8-9H,6-7H2,1-5H3;2*6-7H,1-5H3;2*6H,4-5H2,1-3H3;3*6H,1-5H3;5-7H,3-4H2,1-2H3;5-7H,1-4H3
InChIKeyBYJLMAAWSOBEAF-UHFFFAOYSA-N
MW1812.63 g/mol
LogP27.55
Rot. Bonds17

About 2-tert-butyl-5-propan-2-yl-1,3,4-oxadiazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-4-propan-2-yltriazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3-(1-methylcyclopropyl)-5-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2-oxazole;3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine

2-tert-butyl-5-propan-2-yl-1,3,4-oxadiazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-4-propan-2-yltriazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3-(1-methylcyclopropyl)-5-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2-oxazole;3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine (PubChem CID 167547295) has the molecular formula C102H174N18O10 and a molecular weight of 1812.63 g/mol. Its IUPAC name is 2-tert-butyl-5-propan-2-yl-1,3,4-oxadiazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-4-propan-2-yltriazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3-(1-methylcyclopropyl)-5-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2-oxazole;3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine.

Molecular Properties

Compound Name2-tert-butyl-5-propan-2-yl-1,3,4-oxadiazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-4-propan-2-yltriazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3-(1-methylcyclopropyl)-5-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2-oxazole;3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine
PubChem CID167547295
Molecular FormulaC102H174N18O10
Molecular Weight1812.63 g/mol
Exact Mass1811.37
IUPAC Name2-tert-butyl-5-propan-2-yl-1,3,4-oxadiazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-4-propan-2-yltriazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3-(1-methylcyclopropyl)-5-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2-oxazole;3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine
SMILESCC(C)N1CC(OC(C)(C)C)C1.CC(C)c1cc(C(C)(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C2(C)CC2)on1.CC(C)c1cc(C2CC2)no1.CC(C)c1cn(C(C)(C)C)nn1.CC(C)c1nc(C(C)(C)C)no1.CC(C)c1nc(C2(C)CC2)no1.CC(C)c1nnc(C(C)(C)C)o1.CC(C)c1noc(C(C)(C)C)n1.CC(C)c1noc(C2(C)CC2)n1
InChIInChI=1S/C10H15NO.C10H21NO.C10H17NO.C9H17N3.2C9H14N2O.3C9H16N2O.C9H13NO.C9H15NO/c1-7(2)8-6-9(12-11-8)10(3)4-5-10;1-8(2)11-6-9(7-11)12-10(3,4)5;1-7(2)8-6-9(12-11-8)10(3,4)5;1-7(2)8-6-12(11-10-8)9(3,4)5;1-6(2)7-10-8(11-12-7)9(3)4-5-9;1-6(2)7-10-8(12-11-7)9(3)4-5-9;1-6(2)7-10-11-8(12-7)9(3,4)5;1-6(2)7-10-8(11-12-7)9(3,4)5;1-6(2)7-10-8(12-11-7)9(3,4)5;1-6(2)9-5-8(10-11-9)7-3-4-7;1-6(2)8-5-9(7(3)4)11-10-8/h6-7H,4-5H2,1-3H3;8-9H,6-7H2,1-5H3;2*6-7H,1-5H3;2*6H,4-5H2,1-3H3;3*6H,1-5H3;5-7H,3-4H2,1-2H3;5-7H,1-4H3
InChIKeyBYJLMAAWSOBEAF-UHFFFAOYSA-N
XLogP27.55
TPSA341.90 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds17
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001812.63
LogP ≤ 527.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 2-tert-butyl-5-propan-2-yl-1,3,4-oxadiazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-4-propan-2-yltriazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3-(1-methylcyclopropyl)-5-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2-oxazole;3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-propan-2-yl-1,3,4-oxadiazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-4-propan-2-yltriazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3-(1-methylcyclopropyl)-5-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2-oxazole;3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine?
The IUPAC name of 2-tert-butyl-5-propan-2-yl-1,3,4-oxadiazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-4-propan-2-yltriazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3-(1-methylcyclopropyl)-5-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2-oxazole;3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine (CID 167547295) is 2-tert-butyl-5-propan-2-yl-1,3,4-oxadiazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-4-propan-2-yltriazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3-(1-methylcyclopropyl)-5-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2-oxazole;3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine.
What is the SMILES notation for 2-tert-butyl-5-propan-2-yl-1,3,4-oxadiazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-4-propan-2-yltriazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3-(1-methylcyclopropyl)-5-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2-oxazole;3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine?
The canonical SMILES for 2-tert-butyl-5-propan-2-yl-1,3,4-oxadiazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-4-propan-2-yltriazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3-(1-methylcyclopropyl)-5-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2-oxazole;3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine is CC(C)N1CC(OC(C)(C)C)C1.CC(C)c1cc(C(C)(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C2(C)CC2)on1.CC(C)c1cc(C2CC2)no1.CC(C)c1cn(C(C)(C)C)nn1.CC(C)c1nc(C(C)(C)C)no1.CC(C)c1nc(C2(C)CC2)no1.CC(C)c1nnc(C(C)(C)C)o1.CC(C)c1noc(C(C)(C)C)n1.CC(C)c1noc(C2(C)CC2)n1.
What is the InChIKey of 2-tert-butyl-5-propan-2-yl-1,3,4-oxadiazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-4-propan-2-yltriazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3-(1-methylcyclopropyl)-5-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2-oxazole;3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine?
The InChIKey is BYJLMAAWSOBEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C10H21NO.C10H17NO.C9H17N3.2C9H14N2O.3C9H16N2O.C9H13NO.C9H15NO/c1-7(2)8-6-9(12-11-8)10(3)4-5-10;1-8(2)11-6-9(7-11)12-10(3,4)5;1-7(2)8-6-9(12-11-8)10(3,4)5;1-7(2)8-6-12(11-10-8)9(3,4)5;1-6(2)7-10-8(11-12-7)9(3)4-5-9;1-6(2)7-10-8(12-11-7)9(3)4-5-9;1-6(2)7-10-11-8(12-7)9(3,4)5;1-6(2)7-10-8(11-12-7)9(3,4)5;1-6(2)7-10-8(12-11-7)9(3,4)5;1-6(2)9-5-8(10-11-9)7-3-4-7;1-6(2)8-5-9(7(3)4)11-10-8/h6-7H,4-5H2,1-3H3;8-9H,6-7H2,1-5H3;2*6-7H,1-5H3;2*6H,4-5H2,1-3H3;3*6H,1-5H3;5-7H,3-4H2,1-2H3;5-7H,1-4H3.
What are the key properties of 2-tert-butyl-5-propan-2-yl-1,3,4-oxadiazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-4-propan-2-yltriazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3-(1-methylcyclopropyl)-5-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2-oxazole;3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine?
2-tert-butyl-5-propan-2-yl-1,3,4-oxadiazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-4-propan-2-yltriazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3-(1-methylcyclopropyl)-5-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2-oxazole;3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine has a molecular weight of 1812.63 g/mol, XLogP of 27.55, 17 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-propan-2-yl-1,3,4-oxadiazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2,4-oxadiazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;1-tert-butyl-4-propan-2-yltriazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;3-(1-methylcyclopropyl)-5-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(1-methylcyclopropyl)-3-propan-2-yl-1,2-oxazole;3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine is sourced from PubChem (CID 167547295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).