3,5-dichloro-1-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]pyridin-4-one

C19H12Cl2N2O2 — CID 56658463

IUPAC3,5-dichloro-1-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]pyridin-4-one
SMILESO=c1c(Cl)cn(Cc2coc(-c3cccc4ccccc34)n2)cc1Cl
InChIInChI=1S/C19H12Cl2N2O2/c20-16-9-23(10-17(21)18(16)24)8-13-11-25-19(22-13)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,9-11H,8H2
InChIKeyXGWROJNSFQLDAR-UHFFFAOYSA-N
MW371.22 g/mol
LogP5.01
Rot. Bonds3

About 3,5-dichloro-1-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]pyridin-4-one

3,5-dichloro-1-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]pyridin-4-one (PubChem CID 56658463) has the molecular formula C19H12Cl2N2O2 and a molecular weight of 371.22 g/mol. Its IUPAC name is 3,5-dichloro-1-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3,5-dichloro-1-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]pyridin-4-one
PubChem CID56658463
Molecular FormulaC19H12Cl2N2O2
Molecular Weight371.22 g/mol
Exact Mass370.03
IUPAC Name3,5-dichloro-1-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]pyridin-4-one
SMILESO=c1c(Cl)cn(Cc2coc(-c3cccc4ccccc34)n2)cc1Cl
InChIInChI=1S/C19H12Cl2N2O2/c20-16-9-23(10-17(21)18(16)24)8-13-11-25-19(22-13)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,9-11H,8H2
InChIKeyXGWROJNSFQLDAR-UHFFFAOYSA-N
XLogP5.01
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.22
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-1-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]pyridin-4-one?
The IUPAC name of 3,5-dichloro-1-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]pyridin-4-one (CID 56658463) is 3,5-dichloro-1-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]pyridin-4-one.
What is the SMILES notation for 3,5-dichloro-1-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]pyridin-4-one?
The canonical SMILES for 3,5-dichloro-1-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]pyridin-4-one is O=c1c(Cl)cn(Cc2coc(-c3cccc4ccccc34)n2)cc1Cl.
What is the InChIKey of 3,5-dichloro-1-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]pyridin-4-one?
The InChIKey is XGWROJNSFQLDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O2/c20-16-9-23(10-17(21)18(16)24)8-13-11-25-19(22-13)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,9-11H,8H2.
What are the key properties of 3,5-dichloro-1-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]pyridin-4-one?
3,5-dichloro-1-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]pyridin-4-one has a molecular weight of 371.22 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]pyridin-4-one is sourced from PubChem (CID 56658463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).