1-(5-tert-butyl-1,2-oxazol-3-yl)butan-1-one

C11H17NO2 — CID 157374437

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)butan-1-one
SMILESCCCC(=O)c1cc(C(C)(C)C)on1
InChIInChI=1S/C11H17NO2/c1-5-6-9(13)8-7-10(14-12-8)11(2,3)4/h7H,5-6H2,1-4H3
InChIKeyBKDPOUBRMHIOEQ-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.95
Rot. Bonds3

About 1-(5-tert-butyl-1,2-oxazol-3-yl)butan-1-one

1-(5-tert-butyl-1,2-oxazol-3-yl)butan-1-one (PubChem CID 157374437) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)butan-1-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)butan-1-one
PubChem CID157374437
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)butan-1-one
SMILESCCCC(=O)c1cc(C(C)(C)C)on1
InChIInChI=1S/C11H17NO2/c1-5-6-9(13)8-7-10(14-12-8)11(2,3)4/h7H,5-6H2,1-4H3
InChIKeyBKDPOUBRMHIOEQ-UHFFFAOYSA-N
XLogP2.95
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-tert-butyl-1,2-oxazole-3-carbonyl)-ethylamino]propanoic acid
CID 119190915
5-tert-butyl-3-prop-1-en-2-yl-1,2-oxazole
CID 91419282
2-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]-2-methylbutanoic acid
CID 119198963
5-tert-butyl-N-[2-(2-hydroxyethyl)pentyl]-1,2-oxazole-3-carboxamide
CID 111697387
(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 6453261
3-bromo-5-tert-butyl-1,2-oxazole
CID 59146011
5-[(2R)-2-hydroxypentan-2-yl]-1,2-oxazole-3-carbohydrazide
CID 42587700
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylsulfanyl-2-methylpropanamide
CID 59703925
4,4,4-trifluoro-1-(5-methyl-1,2-oxazol-3-yl)butan-1-one
CID 161184426
5-tert-butyl-N'-(4-chlorobenzoyl)-1,2-oxazole-3-carbohydrazide
CID 2744591
5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 167799653

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)butan-1-one?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)butan-1-one (CID 157374437) is 1-(5-tert-butyl-1,2-oxazol-3-yl)butan-1-one.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)butan-1-one?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)butan-1-one is CCCC(=O)c1cc(C(C)(C)C)on1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)butan-1-one?
The InChIKey is BKDPOUBRMHIOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-5-6-9(13)8-7-10(14-12-8)11(2,3)4/h7H,5-6H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)butan-1-one?
1-(5-tert-butyl-1,2-oxazol-3-yl)butan-1-one has a molecular weight of 195.26 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)butan-1-one is sourced from PubChem (CID 157374437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).