5-[7-[3-[(3S)-3-methylmorpholin-4-yl]azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine

C23H24N6O2 — CID 70648874

IUPAC5-[7-[3-[(3S)-3-methylmorpholin-4-yl]azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine
SMILESC[C@H]1COCCN1C1CN(c2cnc3ccc(-c4ccc5oc(N)nc5c4)nc3c2)C1
InChIInChI=1S/C23H24N6O2/c1-14-13-30-7-6-29(14)17-11-28(12-17)16-9-20-19(25-10-16)4-3-18(26-20)15-2-5-22-21(8-15)27-23(24)31-22/h2-5,8-10,14,17H,6-7,11-13H2,1H3,(H2,24,27)/t14-/m0/s1
InChIKeyOSNCYNRMLCNDHK-AWEZNQCLSA-N
MW416.49 g/mol
LogP2.93
Rot. Bonds3

About 5-[7-[3-[(3S)-3-methylmorpholin-4-yl]azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine

5-[7-[3-[(3S)-3-methylmorpholin-4-yl]azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine (PubChem CID 70648874) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 5-[7-[3-[(3S)-3-methylmorpholin-4-yl]azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[7-[3-[(3S)-3-methylmorpholin-4-yl]azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine
PubChem CID70648874
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name5-[7-[3-[(3S)-3-methylmorpholin-4-yl]azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine
SMILESC[C@H]1COCCN1C1CN(c2cnc3ccc(-c4ccc5oc(N)nc5c4)nc3c2)C1
InChIInChI=1S/C23H24N6O2/c1-14-13-30-7-6-29(14)17-11-28(12-17)16-9-20-19(25-10-16)4-3-18(26-20)15-2-5-22-21(8-15)27-23(24)31-22/h2-5,8-10,14,17H,6-7,11-13H2,1H3,(H2,24,27)/t14-/m0/s1
InChIKeyOSNCYNRMLCNDHK-AWEZNQCLSA-N
XLogP2.93
TPSA93.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[7-[3-[(3S)-3-methylmorpholin-4-yl]azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[7-[3-[(3S)-3-methylmorpholin-4-yl]azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine (CID 70648874) is 5-[7-[3-[(3S)-3-methylmorpholin-4-yl]azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[7-[3-[(3S)-3-methylmorpholin-4-yl]azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[7-[3-[(3S)-3-methylmorpholin-4-yl]azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine is C[C@H]1COCCN1C1CN(c2cnc3ccc(-c4ccc5oc(N)nc5c4)nc3c2)C1.
What is the InChIKey of 5-[7-[3-[(3S)-3-methylmorpholin-4-yl]azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine?
The InChIKey is OSNCYNRMLCNDHK-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-14-13-30-7-6-29(14)17-11-28(12-17)16-9-20-19(25-10-16)4-3-18(26-20)15-2-5-22-21(8-15)27-23(24)31-22/h2-5,8-10,14,17H,6-7,11-13H2,1H3,(H2,24,27)/t14-/m0/s1.
What are the key properties of 5-[7-[3-[(3S)-3-methylmorpholin-4-yl]azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine?
5-[7-[3-[(3S)-3-methylmorpholin-4-yl]azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine has a molecular weight of 416.49 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[3-[(3S)-3-methylmorpholin-4-yl]azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70648874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).