N,N-dimethyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;dihydrochloride

C14H15Cl2N3O — CID 22754817

IUPACN,N-dimethyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;dihydrochloride
SMILESCN(C)c1cccc(-c2nc3ncccc3o2)c1.Cl.Cl
InChIInChI=1S/C14H13N3O.2ClH/c1-17(2)11-6-3-5-10(9-11)14-16-13-12(18-14)7-4-8-15-13;;/h3-9H,1-2H3;2*1H
InChIKeyFIDSBTGOWMZRTK-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.80
Rot. Bonds2

About N,N-dimethyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;dihydrochloride

N,N-dimethyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;dihydrochloride (PubChem CID 22754817) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is N,N-dimethyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;dihydrochloride
PubChem CID22754817
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC NameN,N-dimethyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;dihydrochloride
SMILESCN(C)c1cccc(-c2nc3ncccc3o2)c1.Cl.Cl
InChIInChI=1S/C14H13N3O.2ClH/c1-17(2)11-6-3-5-10(9-11)14-16-13-12(18-14)7-4-8-15-13;;/h3-9H,1-2H3;2*1H
InChIKeyFIDSBTGOWMZRTK-UHFFFAOYSA-N
XLogP3.80
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;dihydrochloride?
The IUPAC name of N,N-dimethyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;dihydrochloride (CID 22754817) is N,N-dimethyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;dihydrochloride?
The canonical SMILES for N,N-dimethyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;dihydrochloride is CN(C)c1cccc(-c2nc3ncccc3o2)c1.Cl.Cl.
What is the InChIKey of N,N-dimethyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;dihydrochloride?
The InChIKey is FIDSBTGOWMZRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O.2ClH/c1-17(2)11-6-3-5-10(9-11)14-16-13-12(18-14)7-4-8-15-13;;/h3-9H,1-2H3;2*1H.
What are the key properties of N,N-dimethyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;dihydrochloride?
N,N-dimethyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;dihydrochloride has a molecular weight of 312.20 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;dihydrochloride is sourced from PubChem (CID 22754817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).