5-(6-morpholin-4-yl-1,5-naphthyridin-3-yl)-1,3-benzoxazol-2-amine

C19H17N5O2 — CID 54675302

IUPAC5-(6-morpholin-4-yl-1,5-naphthyridin-3-yl)-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3cnc4ccc(N5CCOCC5)nc4c3)ccc2o1
InChIInChI=1S/C19H17N5O2/c20-19-23-16-9-12(1-3-17(16)26-19)13-10-15-14(21-11-13)2-4-18(22-15)24-5-7-25-8-6-24/h1-4,9-11H,5-8H2,(H2,20,23)
InChIKeyAHFRRKNLYYOBMB-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.86
Rot. Bonds2

About 5-(6-morpholin-4-yl-1,5-naphthyridin-3-yl)-1,3-benzoxazol-2-amine

5-(6-morpholin-4-yl-1,5-naphthyridin-3-yl)-1,3-benzoxazol-2-amine (PubChem CID 54675302) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 5-(6-morpholin-4-yl-1,5-naphthyridin-3-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-(6-morpholin-4-yl-1,5-naphthyridin-3-yl)-1,3-benzoxazol-2-amine
PubChem CID54675302
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name5-(6-morpholin-4-yl-1,5-naphthyridin-3-yl)-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3cnc4ccc(N5CCOCC5)nc4c3)ccc2o1
InChIInChI=1S/C19H17N5O2/c20-19-23-16-9-12(1-3-17(16)26-19)13-10-15-14(21-11-13)2-4-18(22-15)24-5-7-25-8-6-24/h1-4,9-11H,5-8H2,(H2,20,23)
InChIKeyAHFRRKNLYYOBMB-UHFFFAOYSA-N
XLogP2.86
TPSA90.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(6-morpholin-4-yl-1,5-naphthyridin-3-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-(6-morpholin-4-yl-1,5-naphthyridin-3-yl)-1,3-benzoxazol-2-amine (CID 54675302) is 5-(6-morpholin-4-yl-1,5-naphthyridin-3-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-(6-morpholin-4-yl-1,5-naphthyridin-3-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-(6-morpholin-4-yl-1,5-naphthyridin-3-yl)-1,3-benzoxazol-2-amine is Nc1nc2cc(-c3cnc4ccc(N5CCOCC5)nc4c3)ccc2o1.
What is the InChIKey of 5-(6-morpholin-4-yl-1,5-naphthyridin-3-yl)-1,3-benzoxazol-2-amine?
The InChIKey is AHFRRKNLYYOBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c20-19-23-16-9-12(1-3-17(16)26-19)13-10-15-14(21-11-13)2-4-18(22-15)24-5-7-25-8-6-24/h1-4,9-11H,5-8H2,(H2,20,23).
What are the key properties of 5-(6-morpholin-4-yl-1,5-naphthyridin-3-yl)-1,3-benzoxazol-2-amine?
5-(6-morpholin-4-yl-1,5-naphthyridin-3-yl)-1,3-benzoxazol-2-amine has a molecular weight of 347.38 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-morpholin-4-yl-1,5-naphthyridin-3-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 54675302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).