2-(2-methyl-1-phenylpropan-2-yl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole

C17H19N3OS — CID 71141028

IUPAC2-(2-methyl-1-phenylpropan-2-yl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nc(Cc2nnc(C(C)(C)Cc3ccccc3)o2)cs1
InChIInChI=1S/C17H19N3OS/c1-12-18-14(11-22-12)9-15-19-20-16(21-15)17(2,3)10-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3
InChIKeyKWDHADOFKTZUBW-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.95
Rot. Bonds5

About 2-(2-methyl-1-phenylpropan-2-yl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole

2-(2-methyl-1-phenylpropan-2-yl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole (PubChem CID 71141028) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-(2-methyl-1-phenylpropan-2-yl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methyl-1-phenylpropan-2-yl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
PubChem CID71141028
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name2-(2-methyl-1-phenylpropan-2-yl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nc(Cc2nnc(C(C)(C)Cc3ccccc3)o2)cs1
InChIInChI=1S/C17H19N3OS/c1-12-18-14(11-22-12)9-15-19-20-16(21-15)17(2,3)10-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3
InChIKeyKWDHADOFKTZUBW-UHFFFAOYSA-N
XLogP3.95
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-phenylpropan-2-yl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methyl-1-phenylpropan-2-yl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole (CID 71141028) is 2-(2-methyl-1-phenylpropan-2-yl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methyl-1-phenylpropan-2-yl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methyl-1-phenylpropan-2-yl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole is Cc1nc(Cc2nnc(C(C)(C)Cc3ccccc3)o2)cs1.
What is the InChIKey of 2-(2-methyl-1-phenylpropan-2-yl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is KWDHADOFKTZUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-12-18-14(11-22-12)9-15-19-20-16(21-15)17(2,3)10-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3.
What are the key properties of 2-(2-methyl-1-phenylpropan-2-yl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
2-(2-methyl-1-phenylpropan-2-yl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 313.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-phenylpropan-2-yl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 71141028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).