2-propan-2-yl-4-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]-1,3-oxazole

C15H17N3OS — CID 95551897

IUPAC2-propan-2-yl-4-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]-1,3-oxazole
SMILESCC(C)c1nc(-c2nccn2[C@H](C)c2cccs2)co1
InChIInChI=1S/C15H17N3OS/c1-10(2)15-17-12(9-19-15)14-16-6-7-18(14)11(3)13-5-4-8-20-13/h4-11H,1-3H3/t11-/m1/s1
InChIKeyGJUHBKJBPKMDAN-LLVKDONJSA-N
MW287.39 g/mol
LogP4.33
Rot. Bonds4

About 2-propan-2-yl-4-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]-1,3-oxazole

2-propan-2-yl-4-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]-1,3-oxazole (PubChem CID 95551897) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-propan-2-yl-4-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-propan-2-yl-4-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]-1,3-oxazole
PubChem CID95551897
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-propan-2-yl-4-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]-1,3-oxazole
SMILESCC(C)c1nc(-c2nccn2[C@H](C)c2cccs2)co1
InChIInChI=1S/C15H17N3OS/c1-10(2)15-17-12(9-19-15)14-16-6-7-18(14)11(3)13-5-4-8-20-13/h4-11H,1-3H3/t11-/m1/s1
InChIKeyGJUHBKJBPKMDAN-LLVKDONJSA-N
XLogP4.33
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]-1,3-oxazole?
The IUPAC name of 2-propan-2-yl-4-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]-1,3-oxazole (CID 95551897) is 2-propan-2-yl-4-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-propan-2-yl-4-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]-1,3-oxazole?
The canonical SMILES for 2-propan-2-yl-4-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]-1,3-oxazole is CC(C)c1nc(-c2nccn2[C@H](C)c2cccs2)co1.
What is the InChIKey of 2-propan-2-yl-4-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]-1,3-oxazole?
The InChIKey is GJUHBKJBPKMDAN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10(2)15-17-12(9-19-15)14-16-6-7-18(14)11(3)13-5-4-8-20-13/h4-11H,1-3H3/t11-/m1/s1.
What are the key properties of 2-propan-2-yl-4-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]-1,3-oxazole?
2-propan-2-yl-4-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]-1,3-oxazole has a molecular weight of 287.39 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]-1,3-oxazole is sourced from PubChem (CID 95551897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).