1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-1,2-di(propan-2-yl)imidazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole

C38H66N6O2 — CID 164983962

IUPAC1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-1,2-di(propan-2-yl)imidazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole
SMILESCC(C)c1conc1C(C)C.CC(C)c1nccn1C(C)C.Cc1cnc(C(C)C)n1C(C)C.Cc1onc(C(C)C)c1C(C)C
InChIInChI=1S/C10H18N2.C10H17NO.C9H16N2.C9H15NO/c1-7(2)10-11-6-9(5)12(10)8(3)4;1-6(2)9-8(5)12-11-10(9)7(3)4;1-7(2)9-10-5-6-11(9)8(3)4;1-6(2)8-5-11-10-9(8)7(3)4/h6-8H,1-5H3;6-7H,1-5H3;5-8H,1-4H3;5-7H,1-4H3
InChIKeyFWRYVOQMHAADEV-UHFFFAOYSA-N
MW638.99 g/mol
LogP11.63
Rot. Bonds8

About 1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-1,2-di(propan-2-yl)imidazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole

1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-1,2-di(propan-2-yl)imidazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole (PubChem CID 164983962) has the molecular formula C38H66N6O2 and a molecular weight of 638.99 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-1,2-di(propan-2-yl)imidazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-1,2-di(propan-2-yl)imidazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole
PubChem CID164983962
Molecular FormulaC38H66N6O2
Molecular Weight638.99 g/mol
Exact Mass638.52
IUPAC Name1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-1,2-di(propan-2-yl)imidazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole
SMILESCC(C)c1conc1C(C)C.CC(C)c1nccn1C(C)C.Cc1cnc(C(C)C)n1C(C)C.Cc1onc(C(C)C)c1C(C)C
InChIInChI=1S/C10H18N2.C10H17NO.C9H16N2.C9H15NO/c1-7(2)10-11-6-9(5)12(10)8(3)4;1-6(2)9-8(5)12-11-10(9)7(3)4;1-7(2)9-10-5-6-11(9)8(3)4;1-6(2)8-5-11-10-9(8)7(3)4/h6-8H,1-5H3;6-7H,1-5H3;5-8H,1-4H3;5-7H,1-4H3
InChIKeyFWRYVOQMHAADEV-UHFFFAOYSA-N
XLogP11.63
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.99
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-1,2-di(propan-2-yl)imidazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole with MolForge

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Related Compounds

Bis(1,5-ditert-butylimidazole);3,4-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butylpyrazol-3-one;1,5-ditert-butyltetrazole;3,4-ditert-butyl-1,2,4-triazole
CID 157391497
1-Cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
CID 157492845
Bis(1,5-ditert-butylimidazole);3,4-ditert-butyl-1,2,5-oxadiazole;4,5-ditert-butyloxadiazole;3,4-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butylpyrazol-3-one;1,5-ditert-butyltetrazole
CID 159139207
1-Cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;3-cyclopropyl-4-propan-2-yl-1,2,5-oxadiazole;4-cyclopropyl-3-propan-2-yl-1,2-oxazole;4-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-cyclopropyl-5-propan-2-yltetrazole;5-cyclopropyl-1-propan-2-yltetrazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;5-cyclopropyl-1-propan-2-yltriazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
CID 159220992
1-Cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-ylimidazole;1-propan-2-yltriazole
CID 159449120
1-Methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole
CID 160539860
1,5-Ditert-butylimidazole;3,4-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;1,5-ditert-butyltetrazole;3,4-ditert-butyl-1,2,4-triazole
CID 161029554
1-Cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);5-cyclopropyl-1-propan-2-yltriazole;1-propan-2-ylimidazole
CID 161031679
4,5-Dimethyl-1-propan-2-ylimidazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;4,5-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole
CID 161061524
1-Cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);5-cyclopropyl-1-propan-2-yltriazole;methane;1-propan-2-ylimidazole
CID 161125759
1-Cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);3,4-di(propan-2-yl)-1,2,4-triazole;methane;1-propan-2-ylimidazole
CID 161483097
1-Cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);5-cyclopropyl-1-propan-2-yltriazole;3,4-di(propan-2-yl)-1,2,4-triazole;1-propan-2-ylimidazole
CID 161624021

Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-1,2-di(propan-2-yl)imidazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole?
The IUPAC name of 1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-1,2-di(propan-2-yl)imidazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole (CID 164983962) is 1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-1,2-di(propan-2-yl)imidazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole.
What is the SMILES notation for 1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-1,2-di(propan-2-yl)imidazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole?
The canonical SMILES for 1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-1,2-di(propan-2-yl)imidazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole is CC(C)c1conc1C(C)C.CC(C)c1nccn1C(C)C.Cc1cnc(C(C)C)n1C(C)C.Cc1onc(C(C)C)c1C(C)C.
What is the InChIKey of 1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-1,2-di(propan-2-yl)imidazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole?
The InChIKey is FWRYVOQMHAADEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.C10H17NO.C9H16N2.C9H15NO/c1-7(2)10-11-6-9(5)12(10)8(3)4;1-6(2)9-8(5)12-11-10(9)7(3)4;1-7(2)9-10-5-6-11(9)8(3)4;1-6(2)8-5-11-10-9(8)7(3)4/h6-8H,1-5H3;6-7H,1-5H3;5-8H,1-4H3;5-7H,1-4H3.
What are the key properties of 1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-1,2-di(propan-2-yl)imidazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole?
1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-1,2-di(propan-2-yl)imidazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole has a molecular weight of 638.99 g/mol, XLogP of 11.63, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2-oxazole;5-methyl-1,2-di(propan-2-yl)imidazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole is sourced from PubChem (CID 164983962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).