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

C16H15ClN2O3 — CID 118920379

IUPAC4-chloro-2-hydroxy-3-methyl-1-[5-(1-phenylethyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one
SMILESCC1=C(Cl)C(=O)N(c2cc(C(C)c3ccccc3)on2)C1O
InChIInChI=1S/C16H15ClN2O3/c1-9(11-6-4-3-5-7-11)12-8-13(18-22-12)19-15(20)10(2)14(17)16(19)21/h3-9,15,20H,1-2H3
InChIKeyODRPMKBKIVBARC-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.00
Rot. Bonds3

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

4-chloro-2-hydroxy-3-methyl-1-[5-(1-phenylethyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one (PubChem CID 118920379) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-3-methyl-1-[5-(1-phenylethyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-chloro-2-hydroxy-3-methyl-1-[5-(1-phenylethyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one
PubChem CID118920379
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name4-chloro-2-hydroxy-3-methyl-1-[5-(1-phenylethyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one
SMILESCC1=C(Cl)C(=O)N(c2cc(C(C)c3ccccc3)on2)C1O
InChIInChI=1S/C16H15ClN2O3/c1-9(11-6-4-3-5-7-11)12-8-13(18-22-12)19-15(20)10(2)14(17)16(19)21/h3-9,15,20H,1-2H3
InChIKeyODRPMKBKIVBARC-UHFFFAOYSA-N
XLogP3.00
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.00
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-(1-phenylethyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one?
The IUPAC name of 4-chloro-2-hydroxy-3-methyl-1-[5-(1-phenylethyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one (CID 118920379) is 4-chloro-2-hydroxy-3-methyl-1-[5-(1-phenylethyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one.
What is the SMILES notation for 4-chloro-2-hydroxy-3-methyl-1-[5-(1-phenylethyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one?
The canonical SMILES for 4-chloro-2-hydroxy-3-methyl-1-[5-(1-phenylethyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one is CC1=C(Cl)C(=O)N(c2cc(C(C)c3ccccc3)on2)C1O.
What is the InChIKey of 4-chloro-2-hydroxy-3-methyl-1-[5-(1-phenylethyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one?
The InChIKey is ODRPMKBKIVBARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-9(11-6-4-3-5-7-11)12-8-13(18-22-12)19-15(20)10(2)14(17)16(19)21/h3-9,15,20H,1-2H3.
What are the key properties of 4-chloro-2-hydroxy-3-methyl-1-[5-(1-phenylethyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one?
4-chloro-2-hydroxy-3-methyl-1-[5-(1-phenylethyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one has a molecular weight of 318.76 g/mol, XLogP of 3.00, 3 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-(1-phenylethyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one is sourced from PubChem (CID 118920379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).