3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;1,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;3,5-di(propan-2-yl)-3H-1,2,4-triazole

C58H105N15O3S — CID 157463883

IUPAC3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;1,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;3,5-di(propan-2-yl)-3H-1,2,4-triazole
SMILESCC(C)C1=NC(C(C)C)N=N1.CC(C)C1=NOC(C(C)C)C1.CC(C)c1cc(C(C)C)on1.CC(C)c1cn(C(C)C)nn1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1
InChIInChI=1S/C9H17NO.C9H15NO.3C8H15N3.C8H14N2O.C8H14N2S/c2*1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11(7(3)4)10-9-8;2*1-5(2)7-9-8(6(3)4)11-10-7;2*1-5(2)7-9-10-8(11-7)6(3)4/h6-7,9H,5H2,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3,(H,9,10,11);5-7H,1-4H3;2*5-6H,1-4H3
InChIKeyBUFZYAZUKSEXKF-UHFFFAOYSA-N
MW1092.65 g/mol
LogP16.99
Rot. Bonds14

About 3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;1,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;3,5-di(propan-2-yl)-3H-1,2,4-triazole

3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;1,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;3,5-di(propan-2-yl)-3H-1,2,4-triazole (PubChem CID 157463883) has the molecular formula C58H105N15O3S and a molecular weight of 1092.65 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;1,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;3,5-di(propan-2-yl)-3H-1,2,4-triazole.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;1,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;3,5-di(propan-2-yl)-3H-1,2,4-triazole
PubChem CID157463883
Molecular FormulaC58H105N15O3S
Molecular Weight1092.65 g/mol
Exact Mass1091.82
IUPAC Name3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;1,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;3,5-di(propan-2-yl)-3H-1,2,4-triazole
SMILESCC(C)C1=NC(C(C)C)N=N1.CC(C)C1=NOC(C(C)C)C1.CC(C)c1cc(C(C)C)on1.CC(C)c1cn(C(C)C)nn1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1
InChIInChI=1S/C9H17NO.C9H15NO.3C8H15N3.C8H14N2O.C8H14N2S/c2*1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11(7(3)4)10-9-8;2*1-5(2)7-9-8(6(3)4)11-10-7;2*1-5(2)7-9-10-8(11-7)6(3)4/h6-7,9H,5H2,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3,(H,9,10,11);5-7H,1-4H3;2*5-6H,1-4H3
InChIKeyBUFZYAZUKSEXKF-UHFFFAOYSA-N
XLogP16.99
TPSA221.68 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001092.65
LogP ≤ 516.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;1,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;3,5-di(propan-2-yl)-3H-1,2,4-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;1,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;3,5-di(propan-2-yl)-3H-1,2,4-triazole?
The IUPAC name of 3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;1,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;3,5-di(propan-2-yl)-3H-1,2,4-triazole (CID 157463883) is 3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;1,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;3,5-di(propan-2-yl)-3H-1,2,4-triazole.
What is the SMILES notation for 3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;1,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;3,5-di(propan-2-yl)-3H-1,2,4-triazole?
The canonical SMILES for 3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;1,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;3,5-di(propan-2-yl)-3H-1,2,4-triazole is CC(C)C1=NC(C(C)C)N=N1.CC(C)C1=NOC(C(C)C)C1.CC(C)c1cc(C(C)C)on1.CC(C)c1cn(C(C)C)nn1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.
What is the InChIKey of 3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;1,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;3,5-di(propan-2-yl)-3H-1,2,4-triazole?
The InChIKey is BUFZYAZUKSEXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C9H15NO.3C8H15N3.C8H14N2O.C8H14N2S/c2*1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11(7(3)4)10-9-8;2*1-5(2)7-9-8(6(3)4)11-10-7;2*1-5(2)7-9-10-8(11-7)6(3)4/h6-7,9H,5H2,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3,(H,9,10,11);5-7H,1-4H3;2*5-6H,1-4H3.
What are the key properties of 3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;1,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;3,5-di(propan-2-yl)-3H-1,2,4-triazole?
3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;1,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;3,5-di(propan-2-yl)-3H-1,2,4-triazole has a molecular weight of 1092.65 g/mol, XLogP of 16.99, 14 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;1,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;3,5-di(propan-2-yl)-3H-1,2,4-triazole is sourced from PubChem (CID 157463883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).