3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,5-naphthyridin-2-one

C18H13N3O2 — CID 135405783

IUPAC3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,5-naphthyridin-2-one
SMILESCc1cc(-c2c(-c3ccccc3)c3ncccc3[nH]c2=O)on1
InChIInChI=1S/C18H13N3O2/c1-11-10-14(23-21-11)16-15(12-6-3-2-4-7-12)17-13(20-18(16)22)8-5-9-19-17/h2-10H,1H3,(H,20,22)
InChIKeyONSNOFPLSSFUNZ-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.55
Rot. Bonds2

About 3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,5-naphthyridin-2-one

3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,5-naphthyridin-2-one (PubChem CID 135405783) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,5-naphthyridin-2-one
PubChem CID135405783
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,5-naphthyridin-2-one
SMILESCc1cc(-c2c(-c3ccccc3)c3ncccc3[nH]c2=O)on1
InChIInChI=1S/C18H13N3O2/c1-11-10-14(23-21-11)16-15(12-6-3-2-4-7-12)17-13(20-18(16)22)8-5-9-19-17/h2-10H,1H3,(H,20,22)
InChIKeyONSNOFPLSSFUNZ-UHFFFAOYSA-N
XLogP3.55
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,5-naphthyridin-2-one?
The IUPAC name of 3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,5-naphthyridin-2-one (CID 135405783) is 3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,5-naphthyridin-2-one is Cc1cc(-c2c(-c3ccccc3)c3ncccc3[nH]c2=O)on1.
What is the InChIKey of 3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,5-naphthyridin-2-one?
The InChIKey is ONSNOFPLSSFUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-11-10-14(23-21-11)16-15(12-6-3-2-4-7-12)17-13(20-18(16)22)8-5-9-19-17/h2-10H,1H3,(H,20,22).
What are the key properties of 3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,5-naphthyridin-2-one?
3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,5-naphthyridin-2-one has a molecular weight of 303.32 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 135405783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).