[3-(chloromethyl)-1-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methanamine

C11H12ClFN4O — CID 164792491

IUPAC[3-(chloromethyl)-1-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methanamine
SMILESNCC1(CCl)CN(c2nc3cc(F)cnc3o2)C1
InChIInChI=1S/C11H12ClFN4O/c12-3-11(4-14)5-17(6-11)10-16-8-1-7(13)2-15-9(8)18-10/h1-2H,3-6,14H2
InChIKeyCQNWIGSJYGDJIG-UHFFFAOYSA-N
MW270.69 g/mol
LogP1.37
Rot. Bonds3

About [3-(chloromethyl)-1-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methanamine

[3-(chloromethyl)-1-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methanamine (PubChem CID 164792491) has the molecular formula C11H12ClFN4O and a molecular weight of 270.69 g/mol. Its IUPAC name is [3-(chloromethyl)-1-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-(chloromethyl)-1-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methanamine
PubChem CID164792491
Molecular FormulaC11H12ClFN4O
Molecular Weight270.69 g/mol
Exact Mass270.07
IUPAC Name[3-(chloromethyl)-1-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methanamine
SMILESNCC1(CCl)CN(c2nc3cc(F)cnc3o2)C1
InChIInChI=1S/C11H12ClFN4O/c12-3-11(4-14)5-17(6-11)10-16-8-1-7(13)2-15-9(8)18-10/h1-2H,3-6,14H2
InChIKeyCQNWIGSJYGDJIG-UHFFFAOYSA-N
XLogP1.37
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-Oxazolo[5,4-b]pyridin-2-yl-1,4-diazabicyclo[3.2.2]nonane
CID 11447932
cis-(3,3-difluoropyrrolidin-1-yl)((2S,4S)-4-(4-(oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 11596607
2-(6-Chlorooxazolo[5,4-b]pyridin-2-yl)-2,5-diazabicyclo[3.2.2]-nonane
CID 46180746
Oxazolo[5,4-b]pyridin-2-amine
CID 18671456
2-Chloro-6-fluorooxazolo[5,4-b]pyridine
CID 129919818
1-Cyclopentanecarbonyl-4-{[1,3]oxazolo[5,4-B]pyridin-2-YL}piperazine
CID 46270742
[(3S,4R)-3,4-difluoropyrrolidin-1-yl]-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone
CID 11704166
[(3S)-3-fluoropyrrolidin-1-yl]-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone
CID 11710811
(3-fluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone
CID 68810007
(3-fluoroazetidin-1-yl)-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone
CID 68810867
(3,4-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone
CID 68812224
(3,3-difluoropyrrolidin-1-yl)-[(3S)-3-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone
CID 91319623

Frequently Asked Questions

What is the IUPAC name of [3-(chloromethyl)-1-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methanamine?
The IUPAC name of [3-(chloromethyl)-1-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methanamine (CID 164792491) is [3-(chloromethyl)-1-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methanamine.
What is the SMILES notation for [3-(chloromethyl)-1-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methanamine?
The canonical SMILES for [3-(chloromethyl)-1-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methanamine is NCC1(CCl)CN(c2nc3cc(F)cnc3o2)C1.
What is the InChIKey of [3-(chloromethyl)-1-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methanamine?
The InChIKey is CQNWIGSJYGDJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4O/c12-3-11(4-14)5-17(6-11)10-16-8-1-7(13)2-15-9(8)18-10/h1-2H,3-6,14H2.
What are the key properties of [3-(chloromethyl)-1-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methanamine?
[3-(chloromethyl)-1-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methanamine has a molecular weight of 270.69 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(chloromethyl)-1-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]methanamine is sourced from PubChem (CID 164792491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).