2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-5-(oxolan-3-yl)-1,3-benzoxazole

C20H16ClN3O2 — CID 177187118

IUPAC2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-5-(oxolan-3-yl)-1,3-benzoxazole
SMILESCc1ncc(-c2nc3cc(C4CCOC4)ccc3o2)c2cc(Cl)ncc12
InChIInChI=1S/C20H16ClN3O2/c1-11-15-8-23-19(21)7-14(15)16(9-22-11)20-24-17-6-12(2-3-18(17)26-20)13-4-5-25-10-13/h2-3,6-9,13H,4-5,10H2,1H3
InChIKeyADKZSZIGBHQEGD-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.90
Rot. Bonds2

About 2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-5-(oxolan-3-yl)-1,3-benzoxazole

2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-5-(oxolan-3-yl)-1,3-benzoxazole (PubChem CID 177187118) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-5-(oxolan-3-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-5-(oxolan-3-yl)-1,3-benzoxazole
PubChem CID177187118
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-5-(oxolan-3-yl)-1,3-benzoxazole
SMILESCc1ncc(-c2nc3cc(C4CCOC4)ccc3o2)c2cc(Cl)ncc12
InChIInChI=1S/C20H16ClN3O2/c1-11-15-8-23-19(21)7-14(15)16(9-22-11)20-24-17-6-12(2-3-18(17)26-20)13-4-5-25-10-13/h2-3,6-9,13H,4-5,10H2,1H3
InChIKeyADKZSZIGBHQEGD-UHFFFAOYSA-N
XLogP4.90
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-5-(oxolan-3-yl)-1,3-benzoxazole?
The IUPAC name of 2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-5-(oxolan-3-yl)-1,3-benzoxazole (CID 177187118) is 2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-5-(oxolan-3-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-5-(oxolan-3-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-5-(oxolan-3-yl)-1,3-benzoxazole is Cc1ncc(-c2nc3cc(C4CCOC4)ccc3o2)c2cc(Cl)ncc12.
What is the InChIKey of 2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-5-(oxolan-3-yl)-1,3-benzoxazole?
The InChIKey is ADKZSZIGBHQEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-11-15-8-23-19(21)7-14(15)16(9-22-11)20-24-17-6-12(2-3-18(17)26-20)13-4-5-25-10-13/h2-3,6-9,13H,4-5,10H2,1H3.
What are the key properties of 2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-5-(oxolan-3-yl)-1,3-benzoxazole?
2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-5-(oxolan-3-yl)-1,3-benzoxazole has a molecular weight of 365.82 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-5-(oxolan-3-yl)-1,3-benzoxazole is sourced from PubChem (CID 177187118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).