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

C38H64N4O2S2 — CID 161485697

IUPAC4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole
SMILESCC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1nc(C(C)(C)C)co1.CC(C)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C10H17NO.C10H17NS.C9H15NO.C9H15NS/c2*1-7(2)9-11-8(6-12-9)10(3,4)5;2*1-6(2)8-5-10-9(11-8)7(3)4/h2*6-7H,1-5H3;2*5-7H,1-4H3
InChIKeyWEYFUFOVZYBHCD-UHFFFAOYSA-N
MW673.09 g/mol
LogP12.97
Rot. Bonds6

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

4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole (PubChem CID 161485697) has the molecular formula C38H64N4O2S2 and a molecular weight of 673.09 g/mol. Its IUPAC name is 4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole
PubChem CID161485697
Molecular FormulaC38H64N4O2S2
Molecular Weight673.09 g/mol
Exact Mass672.45
IUPAC Name4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole
SMILESCC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1nc(C(C)(C)C)co1.CC(C)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C10H17NO.C10H17NS.C9H15NO.C9H15NS/c2*1-7(2)9-11-8(6-12-9)10(3,4)5;2*1-6(2)8-5-10-9(11-8)7(3)4/h2*6-7H,1-5H3;2*5-7H,1-4H3
InChIKeyWEYFUFOVZYBHCD-UHFFFAOYSA-N
XLogP12.97
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.09
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole (CID 161485697) is 4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole is CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1nc(C(C)(C)C)co1.CC(C)c1nc(C(C)(C)C)cs1.
What is the InChIKey of 4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole?
The InChIKey is WEYFUFOVZYBHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.C10H17NS.C9H15NO.C9H15NS/c2*1-7(2)9-11-8(6-12-9)10(3,4)5;2*1-6(2)8-5-10-9(11-8)7(3)4/h2*6-7H,1-5H3;2*5-7H,1-4H3.
What are the key properties of 4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole?
4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole has a molecular weight of 673.09 g/mol, XLogP of 12.97, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole is sourced from PubChem (CID 161485697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).