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

C19H15ClN4O — CID 134809593

IUPAC5-(4-chlorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCc1noc2c(NCc3ccncc3)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C19H15ClN4O/c1-12-18-19(25-24-12)17(22-11-13-6-8-21-9-7-13)10-16(23-18)14-2-4-15(20)5-3-14/h2-10H,11H2,1H3,(H,22,23)
InChIKeyWQXCTJYUJOMSPD-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.86
Rot. Bonds4

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

5-(4-chlorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine (PubChem CID 134809593) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine
PubChem CID134809593
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name5-(4-chlorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCc1noc2c(NCc3ccncc3)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C19H15ClN4O/c1-12-18-19(25-24-12)17(22-11-13-6-8-21-9-7-13)10-16(23-18)14-2-4-15(20)5-3-14/h2-10H,11H2,1H3,(H,22,23)
InChIKeyWQXCTJYUJOMSPD-UHFFFAOYSA-N
XLogP4.86
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-chlorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)-[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
3-methyl-N-(1-methylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134809636
7-(4-Methyl-3-pyridinyl)-3-phenyl-[1,2]oxazolo[4,5-b]pyridine
CID 89478975

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(4-chlorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine (CID 134809593) is 5-(4-chlorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(4-chlorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine is Cc1noc2c(NCc3ccncc3)cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 5-(4-chlorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The InChIKey is WQXCTJYUJOMSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-12-18-19(25-24-12)17(22-11-13-6-8-21-9-7-13)10-16(23-18)14-2-4-15(20)5-3-14/h2-10H,11H2,1H3,(H,22,23).
What are the key properties of 5-(4-chlorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine?
5-(4-chlorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine has a molecular weight of 350.81 g/mol, XLogP of 4.86, 4 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-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134809593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).