5-[3-(3-methylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine

C19H17N5O — CID 144716966

IUPAC5-[3-(3-methylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
SMILESCC1CN(c2cnc3ccc(-c4ccc5oc(N)nc5c4)cc3n2)C1
InChIInChI=1S/C19H17N5O/c1-11-9-24(10-11)18-8-21-14-4-2-12(6-15(14)22-18)13-3-5-17-16(7-13)23-19(20)25-17/h2-8,11H,9-10H2,1H3,(H2,20,23)
InChIKeyIZZVKCRHKONMGU-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.48
Rot. Bonds2

About 5-[3-(3-methylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine

5-[3-(3-methylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 144716966) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-[3-(3-methylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[3-(3-methylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID144716966
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name5-[3-(3-methylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
SMILESCC1CN(c2cnc3ccc(-c4ccc5oc(N)nc5c4)cc3n2)C1
InChIInChI=1S/C19H17N5O/c1-11-9-24(10-11)18-8-21-14-4-2-12(6-15(14)22-18)13-3-5-17-16(7-13)23-19(20)25-17/h2-8,11H,9-10H2,1H3,(H2,20,23)
InChIKeyIZZVKCRHKONMGU-UHFFFAOYSA-N
XLogP3.48
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(3-pyrrolidin-1-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
CID 70798676
[1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 144716980
(3S)-1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]pyrrolidin-3-ol
CID 70798709
5-[3-[3-(4,4-dihydroxypiperazin-4-ium-1-yl)azetidin-1-yl]quinoxalin-6-yl]-1,3-benzoxazol-2-amine
CID 123394826
1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]-N-cyclopropylazetidine-3-carboxamide
CID 70798840
2-(dimethylamino)acetaldehyde;5-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
CID 144716901
5-[3-(4-pyrazol-1-ylpiperidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
CID 70798763
5-(6-morpholin-4-yl-1,5-naphthyridin-3-yl)-1,3-benzoxazol-2-amine
CID 54675302
[4-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 70798675
5-[7-[(3R)-3-methylpiperazin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine
CID 70650038
5-[7-[3-[(3S)-3-methylmorpholin-4-yl]azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine
CID 70648874
7-[3-[(3S)-3-methylpiperazin-1-yl]quinoxalin-6-yl]-1,3-benzoxazol-2-amine
CID 70798558

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-methylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[3-(3-methylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine (CID 144716966) is 5-[3-(3-methylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[3-(3-methylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[3-(3-methylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine is CC1CN(c2cnc3ccc(-c4ccc5oc(N)nc5c4)cc3n2)C1.
What is the InChIKey of 5-[3-(3-methylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is IZZVKCRHKONMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-11-9-24(10-11)18-8-21-14-4-2-12(6-15(14)22-18)13-3-5-17-16(7-13)23-19(20)25-17/h2-8,11H,9-10H2,1H3,(H2,20,23).
What are the key properties of 5-[3-(3-methylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine?
5-[3-(3-methylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine has a molecular weight of 331.38 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-methylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 144716966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).