5-[3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine

C20H18N6O2 — CID 70649209

IUPAC5-[3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncc(N5C6CCC5COC6)nc4n3)ccc2o1
InChIInChI=1S/C20H18N6O2/c21-20-24-16-7-11(1-6-17(16)28-20)14-4-5-15-19(23-14)25-18(8-22-15)26-12-2-3-13(26)10-27-9-12/h1,4-8,12-13H,2-3,9-10H2,(H2,21,24)
InChIKeyKGRNQWUIZBVUIO-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.78
Rot. Bonds2

About 5-[3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine

5-[3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 70649209) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-[3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID70649209
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name5-[3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncc(N5C6CCC5COC6)nc4n3)ccc2o1
InChIInChI=1S/C20H18N6O2/c21-20-24-16-7-11(1-6-17(16)28-20)14-4-5-15-19(23-14)25-18(8-22-15)26-12-2-3-13(26)10-27-9-12/h1,4-8,12-13H,2-3,9-10H2,(H2,21,24)
InChIKeyKGRNQWUIZBVUIO-UHFFFAOYSA-N
XLogP2.78
TPSA103.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine (CID 70649209) is 5-[3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine is Nc1nc2cc(-c3ccc4ncc(N5C6CCC5COC6)nc4n3)ccc2o1.
What is the InChIKey of 5-[3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is KGRNQWUIZBVUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c21-20-24-16-7-11(1-6-17(16)28-20)14-4-5-15-19(23-14)25-18(8-22-15)26-12-2-3-13(26)10-27-9-12/h1,4-8,12-13H,2-3,9-10H2,(H2,21,24).
What are the key properties of 5-[3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
5-[3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine has a molecular weight of 374.40 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70649209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).