2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole

C24H20N4O — CID 68657908

IUPAC2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole
SMILESCn1ccc2cc(-c3ccc4oc(N5CCc6ncccc6C5)nc4c3)ccc21
InChIInChI=1S/C24H20N4O/c1-27-11-8-18-13-16(4-6-22(18)27)17-5-7-23-21(14-17)26-24(29-23)28-12-9-20-19(15-28)3-2-10-25-20/h2-8,10-11,13-14H,9,12,15H2,1H3
InChIKeyLOZQBXYEZBGPJY-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.94
Rot. Bonds2

About 2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole

2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole (PubChem CID 68657908) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole
PubChem CID68657908
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole
SMILESCn1ccc2cc(-c3ccc4oc(N5CCc6ncccc6C5)nc4c3)ccc21
InChIInChI=1S/C24H20N4O/c1-27-11-8-18-13-16(4-6-22(18)27)17-5-7-23-21(14-17)26-24(29-23)28-12-9-20-19(15-28)3-2-10-25-20/h2-8,10-11,13-14H,9,12,15H2,1H3
InChIKeyLOZQBXYEZBGPJY-UHFFFAOYSA-N
XLogP4.94
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole?
The IUPAC name of 2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole (CID 68657908) is 2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole is Cn1ccc2cc(-c3ccc4oc(N5CCc6ncccc6C5)nc4c3)ccc21.
What is the InChIKey of 2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole?
The InChIKey is LOZQBXYEZBGPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-27-11-8-18-13-16(4-6-22(18)27)17-5-7-23-21(14-17)26-24(29-23)28-12-9-20-19(15-28)3-2-10-25-20/h2-8,10-11,13-14H,9,12,15H2,1H3.
What are the key properties of 2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole?
2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole has a molecular weight of 380.45 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 68657908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).