4-chloro-2-hydroxy-3-methyl-1-[5-(2-methylhexan-2-yl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one

C15H21ClN2O3 — CID 118920390

IUPAC4-chloro-2-hydroxy-3-methyl-1-[5-(2-methylhexan-2-yl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one
SMILESCCCCC(C)(C)c1cc(N2C(=O)C(Cl)=C(C)C2O)no1
InChIInChI=1S/C15H21ClN2O3/c1-5-6-7-15(3,4)10-8-11(17-21-10)18-13(19)9(2)12(16)14(18)20/h8,13,19H,5-7H2,1-4H3
InChIKeyZIUIVUJOTSLFSF-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.32
Rot. Bonds5

About 4-chloro-2-hydroxy-3-methyl-1-[5-(2-methylhexan-2-yl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one

4-chloro-2-hydroxy-3-methyl-1-[5-(2-methylhexan-2-yl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one (PubChem CID 118920390) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-3-methyl-1-[5-(2-methylhexan-2-yl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-chloro-2-hydroxy-3-methyl-1-[5-(2-methylhexan-2-yl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one
PubChem CID118920390
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name4-chloro-2-hydroxy-3-methyl-1-[5-(2-methylhexan-2-yl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one
SMILESCCCCC(C)(C)c1cc(N2C(=O)C(Cl)=C(C)C2O)no1
InChIInChI=1S/C15H21ClN2O3/c1-5-6-7-15(3,4)10-8-11(17-21-10)18-13(19)9(2)12(16)14(18)20/h8,13,19H,5-7H2,1-4H3
InChIKeyZIUIVUJOTSLFSF-UHFFFAOYSA-N
XLogP3.32
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-3-methyl-1-[5-(2-methylhexan-2-yl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one?
The IUPAC name of 4-chloro-2-hydroxy-3-methyl-1-[5-(2-methylhexan-2-yl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one (CID 118920390) is 4-chloro-2-hydroxy-3-methyl-1-[5-(2-methylhexan-2-yl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one.
What is the SMILES notation for 4-chloro-2-hydroxy-3-methyl-1-[5-(2-methylhexan-2-yl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one?
The canonical SMILES for 4-chloro-2-hydroxy-3-methyl-1-[5-(2-methylhexan-2-yl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one is CCCCC(C)(C)c1cc(N2C(=O)C(Cl)=C(C)C2O)no1.
What is the InChIKey of 4-chloro-2-hydroxy-3-methyl-1-[5-(2-methylhexan-2-yl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one?
The InChIKey is ZIUIVUJOTSLFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-5-6-7-15(3,4)10-8-11(17-21-10)18-13(19)9(2)12(16)14(18)20/h8,13,19H,5-7H2,1-4H3.
What are the key properties of 4-chloro-2-hydroxy-3-methyl-1-[5-(2-methylhexan-2-yl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one?
4-chloro-2-hydroxy-3-methyl-1-[5-(2-methylhexan-2-yl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one has a molecular weight of 312.80 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-3-methyl-1-[5-(2-methylhexan-2-yl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one is sourced from PubChem (CID 118920390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).