2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone

C19H19FN2O2S — CID 159048062

IUPAC2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone
SMILESCC(C)(C)c1cc(CC(=O)c2csc(Cc3ccccc3F)n2)no1
InChIInChI=1S/C19H19FN2O2S/c1-19(2,3)17-10-13(22-24-17)9-16(23)15-11-25-18(21-15)8-12-6-4-5-7-14(12)20/h4-7,10-11H,8-9H2,1-3H3
InChIKeyJWXFLALDYJVWEG-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.58
Rot. Bonds5

About 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone

2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone (PubChem CID 159048062) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone
PubChem CID159048062
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone
SMILESCC(C)(C)c1cc(CC(=O)c2csc(Cc3ccccc3F)n2)no1
InChIInChI=1S/C19H19FN2O2S/c1-19(2,3)17-10-13(22-24-17)9-16(23)15-11-25-18(21-15)8-12-6-4-5-7-14(12)20/h4-7,10-11H,8-9H2,1-3H3
InChIKeyJWXFLALDYJVWEG-UHFFFAOYSA-N
XLogP4.58
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone with MolForge

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Related Compounds

methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
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(2,2-dimethylmorpholin-4-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone
CID 56792147
2-[cyclopropyl-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid
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CID 119600962
5-[[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
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1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166749
3-[[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]-(2-methylpropyl)amino]propanoic acid
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2-[[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]-(oxan-4-yl)amino]acetic acid
CID 126789609
(2,3-dimethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 120572291
[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)azetidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone (CID 159048062) is 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone is CC(C)(C)c1cc(CC(=O)c2csc(Cc3ccccc3F)n2)no1.
What is the InChIKey of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is JWXFLALDYJVWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-19(2,3)17-10-13(22-24-17)9-16(23)15-11-25-18(21-15)8-12-6-4-5-7-14(12)20/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone?
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 358.44 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 159048062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).