4,5-dimethyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole

C26H43N7O3S — CID 160895365

IUPAC4,5-dimethyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole
SMILESCc1nc(C(C)C)oc1C.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.Cc1noc(C(C)C)n1
InChIInChI=1S/C8H13NO.2C6H10N2O.C6H10N2S/c1-5(2)8-9-6(3)7(4)10-8;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6;1-4(2)6-8-7-5(3)9-6/h5H,1-4H3;3*4H,1-3H3
InChIKeySOUNJPICZQQLMX-UHFFFAOYSA-N
MW533.74 g/mol
LogP7.39
Rot. Bonds4

About 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole

4,5-dimethyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 160895365) has the molecular formula C26H43N7O3S and a molecular weight of 533.74 g/mol. Its IUPAC name is 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID160895365
Molecular FormulaC26H43N7O3S
Molecular Weight533.74 g/mol
Exact Mass533.31
IUPAC Name4,5-dimethyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole
SMILESCc1nc(C(C)C)oc1C.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.Cc1noc(C(C)C)n1
InChIInChI=1S/C8H13NO.2C6H10N2O.C6H10N2S/c1-5(2)8-9-6(3)7(4)10-8;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6;1-4(2)6-8-7-5(3)9-6/h5H,1-4H3;3*4H,1-3H3
InChIKeySOUNJPICZQQLMX-UHFFFAOYSA-N
XLogP7.39
TPSA129.65 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500533.74
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole (CID 160895365) is 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole is Cc1nc(C(C)C)oc1C.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.Cc1noc(C(C)C)n1.
What is the InChIKey of 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is SOUNJPICZQQLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.2C6H10N2O.C6H10N2S/c1-5(2)8-9-6(3)7(4)10-8;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6;1-4(2)6-8-7-5(3)9-6/h5H,1-4H3;3*4H,1-3H3.
What are the key properties of 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole?
4,5-dimethyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 533.74 g/mol, XLogP of 7.39, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 160895365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).