1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-ethyl-2-hydroxy-2H-pyrrol-5-one

C13H17ClN2O3 — CID 118920372

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-ethyl-2-hydroxy-2H-pyrrol-5-one
SMILESCCC1=C(Cl)C(=O)N(c2cc(C(C)(C)C)on2)C1O
InChIInChI=1S/C13H17ClN2O3/c1-5-7-10(14)12(18)16(11(7)17)9-6-8(19-15-9)13(2,3)4/h6,11,17H,5H2,1-4H3
InChIKeyBUHVAJSTVKQWSE-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.54
Rot. Bonds2

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-ethyl-2-hydroxy-2H-pyrrol-5-one

1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-ethyl-2-hydroxy-2H-pyrrol-5-one (PubChem CID 118920372) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-ethyl-2-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-ethyl-2-hydroxy-2H-pyrrol-5-one
PubChem CID118920372
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-ethyl-2-hydroxy-2H-pyrrol-5-one
SMILESCCC1=C(Cl)C(=O)N(c2cc(C(C)(C)C)on2)C1O
InChIInChI=1S/C13H17ClN2O3/c1-5-7-10(14)12(18)16(11(7)17)9-6-8(19-15-9)13(2,3)4/h6,11,17H,5H2,1-4H3
InChIKeyBUHVAJSTVKQWSE-UHFFFAOYSA-N
XLogP2.54
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2-cyclopropylethyl)-2-hydroxy-2H-pyrrol-5-one
CID 148800177
1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2,2-dimethylpropylamino)-2-hydroxy-2H-pyrrol-5-one
CID 118927492
4-chloro-2-hydroxy-3-methyl-1-[5-(2-methylhexan-2-yl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one
CID 118920390
[1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-methyl-5-oxo-2H-pyrrol-2-yl] acetate
CID 118920421
1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethyl-5-hydroxy-3-methylimidazolidin-2-one
CID 146547637
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-chloro-2-hydroxy-4-methoxy-2H-pyrrol-5-one;[1-(5-tert-butyl-1,2-oxazol-3-yl)-3-chloro-4-methoxy-5-oxo-2H-pyrrol-2-yl] acetate
CID 159101543
1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-bis(hydroxymethyl)imidazolidin-2-one
CID 70566857
(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one
CID 118613741
(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one
CID 162201840
[1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-methyl-5-oxo-2H-pyrrol-2-yl] phenyl carbonate
CID 118920429
1-benzyl-3-(5-tert-butyl-1,2-oxazol-3-yl)-4-hydroxy-5-methylimidazolidin-2-one
CID 121324680
1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
CID 118608841

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-ethyl-2-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-ethyl-2-hydroxy-2H-pyrrol-5-one (CID 118920372) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-ethyl-2-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-ethyl-2-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-ethyl-2-hydroxy-2H-pyrrol-5-one is CCC1=C(Cl)C(=O)N(c2cc(C(C)(C)C)on2)C1O.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-ethyl-2-hydroxy-2H-pyrrol-5-one?
The InChIKey is BUHVAJSTVKQWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-5-7-10(14)12(18)16(11(7)17)9-6-8(19-15-9)13(2,3)4/h6,11,17H,5H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-ethyl-2-hydroxy-2H-pyrrol-5-one?
1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-ethyl-2-hydroxy-2H-pyrrol-5-one has a molecular weight of 284.74 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-ethyl-2-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 118920372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).