2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole

C13H17NOS — CID 59476354

IUPAC2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole
SMILESCC(C)c1ncc(-c2ccc(C(C)C)s2)o1
InChIInChI=1S/C13H17NOS/c1-8(2)11-5-6-12(16-11)10-7-14-13(15-10)9(3)4/h5-9H,1-4H3
InChIKeyJBPCWKKFWODTBL-UHFFFAOYSA-N
MW235.35 g/mol
LogP4.65
Rot. Bonds3

About 2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole

2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole (PubChem CID 59476354) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole
PubChem CID59476354
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole
SMILESCC(C)c1ncc(-c2ccc(C(C)C)s2)o1
InChIInChI=1S/C13H17NOS/c1-8(2)11-5-6-12(16-11)10-7-14-13(15-10)9(3)4/h5-9H,1-4H3
InChIKeyJBPCWKKFWODTBL-UHFFFAOYSA-N
XLogP4.65
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole?
The IUPAC name of 2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole (CID 59476354) is 2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole?
The canonical SMILES for 2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole is CC(C)c1ncc(-c2ccc(C(C)C)s2)o1.
What is the InChIKey of 2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole?
The InChIKey is JBPCWKKFWODTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-8(2)11-5-6-12(16-11)10-7-14-13(15-10)9(3)4/h5-9H,1-4H3.
What are the key properties of 2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole?
2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole has a molecular weight of 235.35 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole is sourced from PubChem (CID 59476354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).