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

C16H21ClN2O3 — CID 148800177

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2-cyclopropylethyl)-2-hydroxy-2H-pyrrol-5-one
SMILESCC(C)(C)c1cc(N2C(=O)C(Cl)=C(CCC3CC3)C2O)no1
InChIInChI=1S/C16H21ClN2O3/c1-16(2,3)11-8-12(18-22-11)19-14(20)10(13(17)15(19)21)7-6-9-4-5-9/h8-9,14,20H,4-7H2,1-3H3
InChIKeyONWGHOHLYAAOLB-UHFFFAOYSA-N
MW324.81 g/mol
LogP3.32
Rot. Bonds4

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

1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2-cyclopropylethyl)-2-hydroxy-2H-pyrrol-5-one (PubChem CID 148800177) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2-cyclopropylethyl)-2-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2-cyclopropylethyl)-2-hydroxy-2H-pyrrol-5-one
PubChem CID148800177
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2-cyclopropylethyl)-2-hydroxy-2H-pyrrol-5-one
SMILESCC(C)(C)c1cc(N2C(=O)C(Cl)=C(CCC3CC3)C2O)no1
InChIInChI=1S/C16H21ClN2O3/c1-16(2,3)11-8-12(18-22-11)19-14(20)10(13(17)15(19)21)7-6-9-4-5-9/h8-9,14,20H,4-7H2,1-3H3
InChIKeyONWGHOHLYAAOLB-UHFFFAOYSA-N
XLogP3.32
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2-cyclopropylethyl)-2-hydroxy-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(2,2-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)-4,5-bis(hydroxymethyl)imidazolidin-2-one
CID 70566857
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-hydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 121324923
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
3-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-1-methylimidazolidin-2-one
CID 20560592
1-(5-tert-butyl-1,2-oxazol-3-yl)-6-hydroxy-3,4-dimethyl-1,3-diazinan-2-one
CID 147309957
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)-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

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2-cyclopropylethyl)-2-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2-cyclopropylethyl)-2-hydroxy-2H-pyrrol-5-one (CID 148800177) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2-cyclopropylethyl)-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-cyclopropylethyl)-2-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2-cyclopropylethyl)-2-hydroxy-2H-pyrrol-5-one is CC(C)(C)c1cc(N2C(=O)C(Cl)=C(CCC3CC3)C2O)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2-cyclopropylethyl)-2-hydroxy-2H-pyrrol-5-one?
The InChIKey is ONWGHOHLYAAOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-16(2,3)11-8-12(18-22-11)19-14(20)10(13(17)15(19)21)7-6-9-4-5-9/h8-9,14,20H,4-7H2,1-3H3.
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2-cyclopropylethyl)-2-hydroxy-2H-pyrrol-5-one?
1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2-cyclopropylethyl)-2-hydroxy-2H-pyrrol-5-one has a molecular weight of 324.81 g/mol, XLogP of 3.32, 4 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-(2-cyclopropylethyl)-2-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 148800177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).