2-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-1,3-oxazole

C21H15N5O — CID 118660754

IUPAC2-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-1,3-oxazole
SMILESCn1cc(-c2ccc(-c3cncc4ccc(-c5ncco5)nc34)cc2)cn1
InChIInChI=1S/C21H15N5O/c1-26-13-17(11-24-26)14-2-4-15(5-3-14)18-12-22-10-16-6-7-19(25-20(16)18)21-23-8-9-27-21/h2-13H,1H3
InChIKeyLMFQBGMZWYWWAV-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.35
Rot. Bonds3

About 2-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-1,3-oxazole

2-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-1,3-oxazole (PubChem CID 118660754) has the molecular formula C21H15N5O and a molecular weight of 353.39 g/mol. Its IUPAC name is 2-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-1,3-oxazole
PubChem CID118660754
Molecular FormulaC21H15N5O
Molecular Weight353.39 g/mol
Exact Mass353.13
IUPAC Name2-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-1,3-oxazole
SMILESCn1cc(-c2ccc(-c3cncc4ccc(-c5ncco5)nc34)cc2)cn1
InChIInChI=1S/C21H15N5O/c1-26-13-17(11-24-26)14-2-4-15(5-3-14)18-12-22-10-16-6-7-19(25-20(16)18)21-23-8-9-27-21/h2-13H,1H3
InChIKeyLMFQBGMZWYWWAV-UHFFFAOYSA-N
XLogP4.35
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-1,3-oxazole?
The IUPAC name of 2-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-1,3-oxazole (CID 118660754) is 2-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-1,3-oxazole is Cn1cc(-c2ccc(-c3cncc4ccc(-c5ncco5)nc34)cc2)cn1.
What is the InChIKey of 2-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-1,3-oxazole?
The InChIKey is LMFQBGMZWYWWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O/c1-26-13-17(11-24-26)14-2-4-15(5-3-14)18-12-22-10-16-6-7-19(25-20(16)18)21-23-8-9-27-21/h2-13H,1H3.
What are the key properties of 2-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-1,3-oxazole?
2-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-1,3-oxazole has a molecular weight of 353.39 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-1,3-oxazole is sourced from PubChem (CID 118660754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).