1-[2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-1,3-thiazol-5-yl]-4-hydroxy-3-methylbutan-1-one

C18H26N2O3S — CID 59568496

IUPAC1-[2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-1,3-thiazol-5-yl]-4-hydroxy-3-methylbutan-1-one
SMILESCCCCc1noc(C)c1CCc1ncc(C(=O)CC(C)CO)s1
InChIInChI=1S/C18H26N2O3S/c1-4-5-6-15-14(13(3)23-20-15)7-8-18-19-10-17(24-18)16(22)9-12(2)11-21/h10,12,21H,4-9,11H2,1-3H3
InChIKeyDXHRJWUHWVNBRL-UHFFFAOYSA-N
MW350.48 g/mol
LogP3.77
Rot. Bonds10

About 1-[2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-1,3-thiazol-5-yl]-4-hydroxy-3-methylbutan-1-one

1-[2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-1,3-thiazol-5-yl]-4-hydroxy-3-methylbutan-1-one (PubChem CID 59568496) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 1-[2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-1,3-thiazol-5-yl]-4-hydroxy-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-1,3-thiazol-5-yl]-4-hydroxy-3-methylbutan-1-one
PubChem CID59568496
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name1-[2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-1,3-thiazol-5-yl]-4-hydroxy-3-methylbutan-1-one
SMILESCCCCc1noc(C)c1CCc1ncc(C(=O)CC(C)CO)s1
InChIInChI=1S/C18H26N2O3S/c1-4-5-6-15-14(13(3)23-20-15)7-8-18-19-10-17(24-18)16(22)9-12(2)11-21/h10,12,21H,4-9,11H2,1-3H3
InChIKeyDXHRJWUHWVNBRL-UHFFFAOYSA-N
XLogP3.77
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-1,3-thiazol-5-yl]-4-hydroxy-3-methylbutan-1-one?
The IUPAC name of 1-[2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-1,3-thiazol-5-yl]-4-hydroxy-3-methylbutan-1-one (CID 59568496) is 1-[2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-1,3-thiazol-5-yl]-4-hydroxy-3-methylbutan-1-one.
What is the SMILES notation for 1-[2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-1,3-thiazol-5-yl]-4-hydroxy-3-methylbutan-1-one?
The canonical SMILES for 1-[2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-1,3-thiazol-5-yl]-4-hydroxy-3-methylbutan-1-one is CCCCc1noc(C)c1CCc1ncc(C(=O)CC(C)CO)s1.
What is the InChIKey of 1-[2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-1,3-thiazol-5-yl]-4-hydroxy-3-methylbutan-1-one?
The InChIKey is DXHRJWUHWVNBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-4-5-6-15-14(13(3)23-20-15)7-8-18-19-10-17(24-18)16(22)9-12(2)11-21/h10,12,21H,4-9,11H2,1-3H3.
What are the key properties of 1-[2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-1,3-thiazol-5-yl]-4-hydroxy-3-methylbutan-1-one?
1-[2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-1,3-thiazol-5-yl]-4-hydroxy-3-methylbutan-1-one has a molecular weight of 350.48 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-1,3-thiazol-5-yl]-4-hydroxy-3-methylbutan-1-one is sourced from PubChem (CID 59568496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).