4-[5-[benzyl(methyl)amino]-[1,3]oxazolo[5,4-b]pyridin-2-yl]benzonitrile

C21H16N4O — CID 71264746

IUPAC4-[5-[benzyl(methyl)amino]-[1,3]oxazolo[5,4-b]pyridin-2-yl]benzonitrile
SMILESCN(Cc1ccccc1)c1ccc2nc(-c3ccc(C#N)cc3)oc2n1
InChIInChI=1S/C21H16N4O/c1-25(14-16-5-3-2-4-6-16)19-12-11-18-21(24-19)26-20(23-18)17-9-7-15(13-22)8-10-17/h2-12H,14H2,1H3
InChIKeyXHGCYAAKQAKKIT-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.40
Rot. Bonds4

About 4-[5-[benzyl(methyl)amino]-[1,3]oxazolo[5,4-b]pyridin-2-yl]benzonitrile

4-[5-[benzyl(methyl)amino]-[1,3]oxazolo[5,4-b]pyridin-2-yl]benzonitrile (PubChem CID 71264746) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 4-[5-[benzyl(methyl)amino]-[1,3]oxazolo[5,4-b]pyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-[benzyl(methyl)amino]-[1,3]oxazolo[5,4-b]pyridin-2-yl]benzonitrile
PubChem CID71264746
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name4-[5-[benzyl(methyl)amino]-[1,3]oxazolo[5,4-b]pyridin-2-yl]benzonitrile
SMILESCN(Cc1ccccc1)c1ccc2nc(-c3ccc(C#N)cc3)oc2n1
InChIInChI=1S/C21H16N4O/c1-25(14-16-5-3-2-4-6-16)19-12-11-18-21(24-19)26-20(23-18)17-9-7-15(13-22)8-10-17/h2-12H,14H2,1H3
InChIKeyXHGCYAAKQAKKIT-UHFFFAOYSA-N
XLogP4.40
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[5-[benzyl(methyl)amino]-[1,3]oxazolo[5,4-b]pyridin-2-yl]benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

N-benzyl-2-(4-chlorophenyl)-N-methyl-[1,3]oxazolo[5,4-b]pyridin-5-amine;5-chloro-2-(4-chlorophenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 157162551
6-[benzyl(methyl)amino]pyridine-3-carbonitrile
CID 24690148
N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine
CID 54228518
5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridine
CID 82337949
4-[N-benzyl-4-(N-benzyl-4-methylanilino)anilino]benzonitrile
CID 150089976
5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile
CID 133290964
6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile
CID 28799351
6-[benzyl(methyl)amino]-5-methylpyridine-3-carbonitrile
CID 102544753
4-(2-phenyl-1,3-oxazol-4-yl)benzonitrile
CID 58119309
N-benzyl-3-(2-fluorophenyl)-N-methyl-[1,2]oxazolo[5,4-b]pyridin-6-amine
CID 71448253
N-benzyl-6-(4-fluorophenyl)-N,2-dimethylpyrimidin-4-amine
CID 4259434
N-benzyl-N-methyl-4-phenylaniline
CID 23459365

Frequently Asked Questions

What is the IUPAC name of 4-[5-[benzyl(methyl)amino]-[1,3]oxazolo[5,4-b]pyridin-2-yl]benzonitrile?
The IUPAC name of 4-[5-[benzyl(methyl)amino]-[1,3]oxazolo[5,4-b]pyridin-2-yl]benzonitrile (CID 71264746) is 4-[5-[benzyl(methyl)amino]-[1,3]oxazolo[5,4-b]pyridin-2-yl]benzonitrile.
What is the SMILES notation for 4-[5-[benzyl(methyl)amino]-[1,3]oxazolo[5,4-b]pyridin-2-yl]benzonitrile?
The canonical SMILES for 4-[5-[benzyl(methyl)amino]-[1,3]oxazolo[5,4-b]pyridin-2-yl]benzonitrile is CN(Cc1ccccc1)c1ccc2nc(-c3ccc(C#N)cc3)oc2n1.
What is the InChIKey of 4-[5-[benzyl(methyl)amino]-[1,3]oxazolo[5,4-b]pyridin-2-yl]benzonitrile?
The InChIKey is XHGCYAAKQAKKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c1-25(14-16-5-3-2-4-6-16)19-12-11-18-21(24-19)26-20(23-18)17-9-7-15(13-22)8-10-17/h2-12H,14H2,1H3.
What are the key properties of 4-[5-[benzyl(methyl)amino]-[1,3]oxazolo[5,4-b]pyridin-2-yl]benzonitrile?
4-[5-[benzyl(methyl)amino]-[1,3]oxazolo[5,4-b]pyridin-2-yl]benzonitrile has a molecular weight of 340.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[benzyl(methyl)amino]-[1,3]oxazolo[5,4-b]pyridin-2-yl]benzonitrile is sourced from PubChem (CID 71264746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).