5-(4-chlorophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine

C20H17ClN4O — CID 134806659

IUPAC5-(4-chlorophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCc1noc2c(NCCc3ccccn3)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C20H17ClN4O/c1-13-19-20(26-25-13)18(23-11-9-16-4-2-3-10-22-16)12-17(24-19)14-5-7-15(21)8-6-14/h2-8,10,12H,9,11H2,1H3,(H,23,24)
InChIKeyYWWFTBUCZFFTMU-UHFFFAOYSA-N
MW364.84 g/mol
LogP4.90
Rot. Bonds5

About 5-(4-chlorophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine

5-(4-chlorophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine (PubChem CID 134806659) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine
PubChem CID134806659
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name5-(4-chlorophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCc1noc2c(NCCc3ccccn3)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C20H17ClN4O/c1-13-19-20(26-25-13)18(23-11-9-16-4-2-3-10-22-16)12-17(24-19)14-5-7-15(21)8-6-14/h2-8,10,12H,9,11H2,1H3,(H,23,24)
InChIKeyYWWFTBUCZFFTMU-UHFFFAOYSA-N
XLogP4.90
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-chlorophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine with MolForge

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Related Compounds

3-(2,4-Dichlorophenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine
CID 3743953
3-(4-Fluorophenyl)-7-(4-methyl-3-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine
CID 71544372
3-methyl-N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134804957
5-(4-fluorophenyl)-3-methyl-N-pyridin-4-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134805649
5-(4-fluorophenyl)-3-methyl-N-(oxan-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134805660
5-(4-fluorophenyl)-3-methyl-N-(1-methylpiperidin-4-yl)-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134805967
3-methyl-N-(pyridin-3-ylmethyl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134806292
N-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 134806935
3-methyl-N-(pyridin-4-ylmethyl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134809024
N',N'-dimethyl-N-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]ethane-1,2-diamine
CID 134809303
N-(3-methoxypropyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134809319
3-methyl-N-(1-methylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134809636

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(4-chlorophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine (CID 134806659) is 5-(4-chlorophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(4-chlorophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine is Cc1noc2c(NCCc3ccccn3)cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 5-(4-chlorophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The InChIKey is YWWFTBUCZFFTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c1-13-19-20(26-25-13)18(23-11-9-16-4-2-3-10-22-16)12-17(24-19)14-5-7-15(21)8-6-14/h2-8,10,12H,9,11H2,1H3,(H,23,24).
What are the key properties of 5-(4-chlorophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine?
5-(4-chlorophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine has a molecular weight of 364.84 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134806659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).