1-methyl-5-[2-oxo-2-[2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]ethyl]pyridin-2-one

C23H18N2O4 — CID 163940142

IUPAC1-methyl-5-[2-oxo-2-[2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]ethyl]pyridin-2-one
SMILESCn1cc(CC(=O)c2coc(-c3cccc(Oc4ccccc4)c3)n2)ccc1=O
InChIInChI=1S/C23H18N2O4/c1-25-14-16(10-11-22(25)27)12-21(26)20-15-28-23(24-20)17-6-5-9-19(13-17)29-18-7-3-2-4-8-18/h2-11,13-15H,12H2,1H3
InChIKeyRTZZJVHQISHIFV-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.26
Rot. Bonds6

About 1-methyl-5-[2-oxo-2-[2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]ethyl]pyridin-2-one

1-methyl-5-[2-oxo-2-[2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]ethyl]pyridin-2-one (PubChem CID 163940142) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 1-methyl-5-[2-oxo-2-[2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[2-oxo-2-[2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]ethyl]pyridin-2-one
PubChem CID163940142
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name1-methyl-5-[2-oxo-2-[2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]ethyl]pyridin-2-one
SMILESCn1cc(CC(=O)c2coc(-c3cccc(Oc4ccccc4)c3)n2)ccc1=O
InChIInChI=1S/C23H18N2O4/c1-25-14-16(10-11-22(25)27)12-21(26)20-15-28-23(24-20)17-6-5-9-19(13-17)29-18-7-3-2-4-8-18/h2-11,13-15H,12H2,1H3
InChIKeyRTZZJVHQISHIFV-UHFFFAOYSA-N
XLogP4.26
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-oxo-2-[2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[2-oxo-2-[2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]ethyl]pyridin-2-one (CID 163940142) is 1-methyl-5-[2-oxo-2-[2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[2-oxo-2-[2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[2-oxo-2-[2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]ethyl]pyridin-2-one is Cn1cc(CC(=O)c2coc(-c3cccc(Oc4ccccc4)c3)n2)ccc1=O.
What is the InChIKey of 1-methyl-5-[2-oxo-2-[2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]ethyl]pyridin-2-one?
The InChIKey is RTZZJVHQISHIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-25-14-16(10-11-22(25)27)12-21(26)20-15-28-23(24-20)17-6-5-9-19(13-17)29-18-7-3-2-4-8-18/h2-11,13-15H,12H2,1H3.
What are the key properties of 1-methyl-5-[2-oxo-2-[2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]ethyl]pyridin-2-one?
1-methyl-5-[2-oxo-2-[2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]ethyl]pyridin-2-one has a molecular weight of 386.41 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-oxo-2-[2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 163940142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).