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

C16H24ClN3O3 — CID 118927492

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2,2-dimethylpropylamino)-2-hydroxy-2H-pyrrol-5-one
SMILESCC(C)(C)CNC1=C(Cl)C(=O)N(c2cc(C(C)(C)C)on2)C1O
InChIInChI=1S/C16H24ClN3O3/c1-15(2,3)8-18-12-11(17)13(21)20(14(12)22)10-7-9(23-19-10)16(4,5)6/h7,14,18,22H,8H2,1-6H3
InChIKeyQNARWDOAGMUTDK-UHFFFAOYSA-N
MW341.84 g/mol
LogP2.72
Rot. Bonds3

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

1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2,2-dimethylpropylamino)-2-hydroxy-2H-pyrrol-5-one (PubChem CID 118927492) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2,2-dimethylpropylamino)-2-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2,2-dimethylpropylamino)-2-hydroxy-2H-pyrrol-5-one
PubChem CID118927492
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2,2-dimethylpropylamino)-2-hydroxy-2H-pyrrol-5-one
SMILESCC(C)(C)CNC1=C(Cl)C(=O)N(c2cc(C(C)(C)C)on2)C1O
InChIInChI=1S/C16H24ClN3O3/c1-15(2,3)8-18-12-11(17)13(21)20(14(12)22)10-7-9(23-19-10)16(4,5)6/h7,14,18,22H,8H2,1-6H3
InChIKeyQNARWDOAGMUTDK-UHFFFAOYSA-N
XLogP2.72
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-ethyl-2-hydroxy-2H-pyrrol-5-one
CID 118920372
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-methyl-5-oxo-2H-pyrrol-2-yl] acetate
CID 118920421
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)-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-chloro-3-methyl-5-oxo-2H-pyrrol-2-yl] phenyl carbonate
CID 118920429
1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-bis(hydroxymethyl)imidazolidin-2-one
CID 70566857
1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethyl-5-hydroxy-3-methylimidazolidin-2-one
CID 146547637
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
(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

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2,2-dimethylpropylamino)-2-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2,2-dimethylpropylamino)-2-hydroxy-2H-pyrrol-5-one (CID 118927492) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2,2-dimethylpropylamino)-2-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2,2-dimethylpropylamino)-2-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2,2-dimethylpropylamino)-2-hydroxy-2H-pyrrol-5-one is CC(C)(C)CNC1=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-(2,2-dimethylpropylamino)-2-hydroxy-2H-pyrrol-5-one?
The InChIKey is QNARWDOAGMUTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O3/c1-15(2,3)8-18-12-11(17)13(21)20(14(12)22)10-7-9(23-19-10)16(4,5)6/h7,14,18,22H,8H2,1-6H3.
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2,2-dimethylpropylamino)-2-hydroxy-2H-pyrrol-5-one?
1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2,2-dimethylpropylamino)-2-hydroxy-2H-pyrrol-5-one has a molecular weight of 341.84 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2,2-dimethylpropylamino)-2-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 118927492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).