1-[2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-1,3-benzoxazol-5-yl]cyclobutan-1-ol

C20H16ClN3O2 — CID 177187081

IUPAC1-[2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-1,3-benzoxazol-5-yl]cyclobutan-1-ol
SMILESCc1ncc(-c2nc3cc(C4(O)CCC4)ccc3o2)c2cc(Cl)ncc12
InChIInChI=1S/C20H16ClN3O2/c1-11-14-9-23-18(21)8-13(14)15(10-22-11)19-24-16-7-12(3-4-17(16)26-19)20(25)5-2-6-20/h3-4,7-10,25H,2,5-6H2,1H3
InChIKeyRTQGPRRVMMRFJY-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.77
Rot. Bonds2

About 1-[2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-1,3-benzoxazol-5-yl]cyclobutan-1-ol

1-[2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-1,3-benzoxazol-5-yl]cyclobutan-1-ol (PubChem CID 177187081) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 1-[2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-1,3-benzoxazol-5-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-1,3-benzoxazol-5-yl]cyclobutan-1-ol
PubChem CID177187081
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name1-[2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-1,3-benzoxazol-5-yl]cyclobutan-1-ol
SMILESCc1ncc(-c2nc3cc(C4(O)CCC4)ccc3o2)c2cc(Cl)ncc12
InChIInChI=1S/C20H16ClN3O2/c1-11-14-9-23-18(21)8-13(14)15(10-22-11)19-24-16-7-12(3-4-17(16)26-19)20(25)5-2-6-20/h3-4,7-10,25H,2,5-6H2,1H3
InChIKeyRTQGPRRVMMRFJY-UHFFFAOYSA-N
XLogP4.77
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.77
H-Bond Donors ≤ 51
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 1-[2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-1,3-benzoxazol-5-yl]cyclobutan-1-ol?
The IUPAC name of 1-[2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-1,3-benzoxazol-5-yl]cyclobutan-1-ol (CID 177187081) is 1-[2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-1,3-benzoxazol-5-yl]cyclobutan-1-ol.
What is the SMILES notation for 1-[2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-1,3-benzoxazol-5-yl]cyclobutan-1-ol?
The canonical SMILES for 1-[2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-1,3-benzoxazol-5-yl]cyclobutan-1-ol is Cc1ncc(-c2nc3cc(C4(O)CCC4)ccc3o2)c2cc(Cl)ncc12.
What is the InChIKey of 1-[2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-1,3-benzoxazol-5-yl]cyclobutan-1-ol?
The InChIKey is RTQGPRRVMMRFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-11-14-9-23-18(21)8-13(14)15(10-22-11)19-24-16-7-12(3-4-17(16)26-19)20(25)5-2-6-20/h3-4,7-10,25H,2,5-6H2,1H3.
What are the key properties of 1-[2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-1,3-benzoxazol-5-yl]cyclobutan-1-ol?
1-[2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-1,3-benzoxazol-5-yl]cyclobutan-1-ol has a molecular weight of 365.82 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-chloro-1-methyl-2,7-naphthyridin-4-yl)-1,3-benzoxazol-5-yl]cyclobutan-1-ol is sourced from PubChem (CID 177187081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).