3-[2,4-dimethyl-4-(1,3-thiazol-2-yl)pentan-2-yl]-1,2-oxazole

C13H18N2OS — CID 130399985

IUPAC3-[2,4-dimethyl-4-(1,3-thiazol-2-yl)pentan-2-yl]-1,2-oxazole
SMILESCC(C)(CC(C)(C)c1nccs1)c1ccon1
InChIInChI=1S/C13H18N2OS/c1-12(2,10-5-7-16-15-10)9-13(3,4)11-14-6-8-17-11/h5-8H,9H2,1-4H3
InChIKeyCQLDOVYYQBKRRA-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.78
Rot. Bonds4

About 3-[2,4-dimethyl-4-(1,3-thiazol-2-yl)pentan-2-yl]-1,2-oxazole

3-[2,4-dimethyl-4-(1,3-thiazol-2-yl)pentan-2-yl]-1,2-oxazole (PubChem CID 130399985) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 3-[2,4-dimethyl-4-(1,3-thiazol-2-yl)pentan-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2,4-dimethyl-4-(1,3-thiazol-2-yl)pentan-2-yl]-1,2-oxazole
PubChem CID130399985
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name3-[2,4-dimethyl-4-(1,3-thiazol-2-yl)pentan-2-yl]-1,2-oxazole
SMILESCC(C)(CC(C)(C)c1nccs1)c1ccon1
InChIInChI=1S/C13H18N2OS/c1-12(2,10-5-7-16-15-10)9-13(3,4)11-14-6-8-17-11/h5-8H,9H2,1-4H3
InChIKeyCQLDOVYYQBKRRA-UHFFFAOYSA-N
XLogP3.78
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2,4-dimethyl-4-(1,3-thiazol-2-yl)pentan-2-yl]-1,2-oxazole?
The IUPAC name of 3-[2,4-dimethyl-4-(1,3-thiazol-2-yl)pentan-2-yl]-1,2-oxazole (CID 130399985) is 3-[2,4-dimethyl-4-(1,3-thiazol-2-yl)pentan-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-[2,4-dimethyl-4-(1,3-thiazol-2-yl)pentan-2-yl]-1,2-oxazole?
The canonical SMILES for 3-[2,4-dimethyl-4-(1,3-thiazol-2-yl)pentan-2-yl]-1,2-oxazole is CC(C)(CC(C)(C)c1nccs1)c1ccon1.
What is the InChIKey of 3-[2,4-dimethyl-4-(1,3-thiazol-2-yl)pentan-2-yl]-1,2-oxazole?
The InChIKey is CQLDOVYYQBKRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-12(2,10-5-7-16-15-10)9-13(3,4)11-14-6-8-17-11/h5-8H,9H2,1-4H3.
What are the key properties of 3-[2,4-dimethyl-4-(1,3-thiazol-2-yl)pentan-2-yl]-1,2-oxazole?
3-[2,4-dimethyl-4-(1,3-thiazol-2-yl)pentan-2-yl]-1,2-oxazole has a molecular weight of 250.37 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-dimethyl-4-(1,3-thiazol-2-yl)pentan-2-yl]-1,2-oxazole is sourced from PubChem (CID 130399985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).