4-tert-butyl-3,5-di(propan-2-yl)-1,2-oxazole;3,4,5-tri(propan-2-yl)-1,2-oxazole;bis(1,4,5-tri(propan-2-yl)triazole);3,4,5-tri(propan-2-yl)-1,2,4-triazole

C58H107N11O2 — CID 159817992

IUPAC4-tert-butyl-3,5-di(propan-2-yl)-1,2-oxazole;3,4,5-tri(propan-2-yl)-1,2-oxazole;bis(1,4,5-tri(propan-2-yl)triazole);3,4,5-tri(propan-2-yl)-1,2,4-triazole
SMILESCC(C)c1nnc(C(C)C)n1C(C)C.CC(C)c1nnn(C(C)C)c1C(C)C.CC(C)c1nnn(C(C)C)c1C(C)C.CC(C)c1noc(C(C)C)c1C(C)(C)C.CC(C)c1noc(C(C)C)c1C(C)C
InChIInChI=1S/C13H23NO.C12H21NO.3C11H21N3/c1-8(2)11-10(13(5,6)7)12(9(3)4)15-14-11;1-7(2)10-11(8(3)4)13-14-12(10)9(5)6;1-7(2)10-12-13-11(8(3)4)14(10)9(5)6;2*1-7(2)10-11(8(3)4)14(9(5)6)13-12-10/h8-9H,1-7H3;4*7-9H,1-6H3
InChIKeyNLWDQLBSZPJIRL-UHFFFAOYSA-N
MW990.57 g/mol
LogP17.58
Rot. Bonds14

About 4-tert-butyl-3,5-di(propan-2-yl)-1,2-oxazole;3,4,5-tri(propan-2-yl)-1,2-oxazole;bis(1,4,5-tri(propan-2-yl)triazole);3,4,5-tri(propan-2-yl)-1,2,4-triazole

4-tert-butyl-3,5-di(propan-2-yl)-1,2-oxazole;3,4,5-tri(propan-2-yl)-1,2-oxazole;bis(1,4,5-tri(propan-2-yl)triazole);3,4,5-tri(propan-2-yl)-1,2,4-triazole (PubChem CID 159817992) has the molecular formula C58H107N11O2 and a molecular weight of 990.57 g/mol. Its IUPAC name is 4-tert-butyl-3,5-di(propan-2-yl)-1,2-oxazole;3,4,5-tri(propan-2-yl)-1,2-oxazole;bis(1,4,5-tri(propan-2-yl)triazole);3,4,5-tri(propan-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-tert-butyl-3,5-di(propan-2-yl)-1,2-oxazole;3,4,5-tri(propan-2-yl)-1,2-oxazole;bis(1,4,5-tri(propan-2-yl)triazole);3,4,5-tri(propan-2-yl)-1,2,4-triazole
PubChem CID159817992
Molecular FormulaC58H107N11O2
Molecular Weight990.57 g/mol
Exact Mass989.86
IUPAC Name4-tert-butyl-3,5-di(propan-2-yl)-1,2-oxazole;3,4,5-tri(propan-2-yl)-1,2-oxazole;bis(1,4,5-tri(propan-2-yl)triazole);3,4,5-tri(propan-2-yl)-1,2,4-triazole
SMILESCC(C)c1nnc(C(C)C)n1C(C)C.CC(C)c1nnn(C(C)C)c1C(C)C.CC(C)c1nnn(C(C)C)c1C(C)C.CC(C)c1noc(C(C)C)c1C(C)(C)C.CC(C)c1noc(C(C)C)c1C(C)C
InChIInChI=1S/C13H23NO.C12H21NO.3C11H21N3/c1-8(2)11-10(13(5,6)7)12(9(3)4)15-14-11;1-7(2)10-11(8(3)4)13-14-12(10)9(5)6;1-7(2)10-12-13-11(8(3)4)14(10)9(5)6;2*1-7(2)10-11(8(3)4)14(9(5)6)13-12-10/h8-9H,1-7H3;4*7-9H,1-6H3
InChIKeyNLWDQLBSZPJIRL-UHFFFAOYSA-N
XLogP17.58
TPSA144.19 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500990.57
LogP ≤ 517.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 4-tert-butyl-3,5-di(propan-2-yl)-1,2-oxazole;3,4,5-tri(propan-2-yl)-1,2-oxazole;bis(1,4,5-tri(propan-2-yl)triazole);3,4,5-tri(propan-2-yl)-1,2,4-triazole 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
3,5-Ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyltetrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane
CID 157568886
Bis(3,4,5-tri(propan-2-yl)-1,2-oxazole);bis(1,4,5-tri(propan-2-yl)triazole);3,4,5-tri(propan-2-yl)-1,2,4-triazole
CID 158387714
3,5-Ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyltetrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole
CID 159204683
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
Bis(1,5-ditert-butyl-2,4-dimethylimidazole);4,5-ditert-butyl-1,2-dimethylimidazole;bis(4,5-ditert-butyl-1,3-dimethylpyrazole);4,5-ditert-butyl-3-methyl-1,2-oxazole;4,5-ditert-butyl-1-methyltriazole;bis(2,3-ditert-butyl-1,4,5-trimethylpyrrole)
CID 159342822
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
1,5-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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,5-di(propan-2-yl)-1,2-oxazole;3,4,5-tri(propan-2-yl)-1,2-oxazole;bis(1,4,5-tri(propan-2-yl)triazole);3,4,5-tri(propan-2-yl)-1,2,4-triazole?
The IUPAC name of 4-tert-butyl-3,5-di(propan-2-yl)-1,2-oxazole;3,4,5-tri(propan-2-yl)-1,2-oxazole;bis(1,4,5-tri(propan-2-yl)triazole);3,4,5-tri(propan-2-yl)-1,2,4-triazole (CID 159817992) is 4-tert-butyl-3,5-di(propan-2-yl)-1,2-oxazole;3,4,5-tri(propan-2-yl)-1,2-oxazole;bis(1,4,5-tri(propan-2-yl)triazole);3,4,5-tri(propan-2-yl)-1,2,4-triazole.
What is the SMILES notation for 4-tert-butyl-3,5-di(propan-2-yl)-1,2-oxazole;3,4,5-tri(propan-2-yl)-1,2-oxazole;bis(1,4,5-tri(propan-2-yl)triazole);3,4,5-tri(propan-2-yl)-1,2,4-triazole?
The canonical SMILES for 4-tert-butyl-3,5-di(propan-2-yl)-1,2-oxazole;3,4,5-tri(propan-2-yl)-1,2-oxazole;bis(1,4,5-tri(propan-2-yl)triazole);3,4,5-tri(propan-2-yl)-1,2,4-triazole is CC(C)c1nnc(C(C)C)n1C(C)C.CC(C)c1nnn(C(C)C)c1C(C)C.CC(C)c1nnn(C(C)C)c1C(C)C.CC(C)c1noc(C(C)C)c1C(C)(C)C.CC(C)c1noc(C(C)C)c1C(C)C.
What is the InChIKey of 4-tert-butyl-3,5-di(propan-2-yl)-1,2-oxazole;3,4,5-tri(propan-2-yl)-1,2-oxazole;bis(1,4,5-tri(propan-2-yl)triazole);3,4,5-tri(propan-2-yl)-1,2,4-triazole?
The InChIKey is NLWDQLBSZPJIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.C12H21NO.3C11H21N3/c1-8(2)11-10(13(5,6)7)12(9(3)4)15-14-11;1-7(2)10-11(8(3)4)13-14-12(10)9(5)6;1-7(2)10-12-13-11(8(3)4)14(10)9(5)6;2*1-7(2)10-11(8(3)4)14(9(5)6)13-12-10/h8-9H,1-7H3;4*7-9H,1-6H3.
What are the key properties of 4-tert-butyl-3,5-di(propan-2-yl)-1,2-oxazole;3,4,5-tri(propan-2-yl)-1,2-oxazole;bis(1,4,5-tri(propan-2-yl)triazole);3,4,5-tri(propan-2-yl)-1,2,4-triazole?
4-tert-butyl-3,5-di(propan-2-yl)-1,2-oxazole;3,4,5-tri(propan-2-yl)-1,2-oxazole;bis(1,4,5-tri(propan-2-yl)triazole);3,4,5-tri(propan-2-yl)-1,2,4-triazole has a molecular weight of 990.57 g/mol, XLogP of 17.58, 14 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,5-di(propan-2-yl)-1,2-oxazole;3,4,5-tri(propan-2-yl)-1,2-oxazole;bis(1,4,5-tri(propan-2-yl)triazole);3,4,5-tri(propan-2-yl)-1,2,4-triazole is sourced from PubChem (CID 159817992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).