5-[3-[(3R)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine

C19H18N6O2 — CID 70648856

IUPAC5-[3-[(3R)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
SMILESC[C@@H]1COCCN1c1cnc2ccc(-c3ccc4oc(N)nc4c3)nc2n1
InChIInChI=1S/C19H18N6O2/c1-11-10-26-7-6-25(11)17-9-21-14-4-3-13(22-18(14)24-17)12-2-5-16-15(8-12)23-19(20)27-16/h2-5,8-9,11H,6-7,10H2,1H3,(H2,20,23)/t11-/m1/s1
InChIKeyJLYUKFMXKXXAJM-LLVKDONJSA-N
MW362.39 g/mol
LogP2.64
Rot. Bonds2

About 5-[3-[(3R)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine

5-[3-[(3R)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 70648856) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 5-[3-[(3R)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[3-[(3R)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID70648856
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name5-[3-[(3R)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
SMILESC[C@@H]1COCCN1c1cnc2ccc(-c3ccc4oc(N)nc4c3)nc2n1
InChIInChI=1S/C19H18N6O2/c1-11-10-26-7-6-25(11)17-9-21-14-4-3-13(22-18(14)24-17)12-2-5-16-15(8-12)23-19(20)27-16/h2-5,8-9,11H,6-7,10H2,1H3,(H2,20,23)/t11-/m1/s1
InChIKeyJLYUKFMXKXXAJM-LLVKDONJSA-N
XLogP2.64
TPSA103.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3R)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[3-[(3R)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine (CID 70648856) is 5-[3-[(3R)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[3-[(3R)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[3-[(3R)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine is C[C@@H]1COCCN1c1cnc2ccc(-c3ccc4oc(N)nc4c3)nc2n1.
What is the InChIKey of 5-[3-[(3R)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is JLYUKFMXKXXAJM-LLVKDONJSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-11-10-26-7-6-25(11)17-9-21-14-4-3-13(22-18(14)24-17)12-2-5-16-15(8-12)23-19(20)27-16/h2-5,8-9,11H,6-7,10H2,1H3,(H2,20,23)/t11-/m1/s1.
What are the key properties of 5-[3-[(3R)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
5-[3-[(3R)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine has a molecular weight of 362.39 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3R)-3-methylmorpholin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70648856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).