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

C24H25N5O2 — CID 134805681

IUPAC3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine
SMILESCc1noc2c(-c3cccnc3NCCN3CCOCC3)cc(-c3ccccc3)nc12
InChIInChI=1S/C24H25N5O2/c1-17-22-23(31-28-17)20(16-21(27-22)18-6-3-2-4-7-18)19-8-5-9-25-24(19)26-10-11-29-12-14-30-15-13-29/h2-9,16H,10-15H2,1H3,(H,25,26)
InChIKeyOOULYHDINUBDNH-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.00
Rot. Bonds6

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

3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine (PubChem CID 134805681) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine
PubChem CID134805681
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine
SMILESCc1noc2c(-c3cccnc3NCCN3CCOCC3)cc(-c3ccccc3)nc12
InChIInChI=1S/C24H25N5O2/c1-17-22-23(31-28-17)20(16-21(27-22)18-6-3-2-4-7-18)19-8-5-9-25-24(19)26-10-11-29-12-14-30-15-13-29/h2-9,16H,10-15H2,1H3,(H,25,26)
InChIKeyOOULYHDINUBDNH-UHFFFAOYSA-N
XLogP4.00
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
The IUPAC name of 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine (CID 134805681) is 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine.
What is the SMILES notation for 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
The canonical SMILES for 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine is Cc1noc2c(-c3cccnc3NCCN3CCOCC3)cc(-c3ccccc3)nc12.
What is the InChIKey of 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
The InChIKey is OOULYHDINUBDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-17-22-23(31-28-17)20(16-21(27-22)18-6-3-2-4-7-18)19-8-5-9-25-24(19)26-10-11-29-12-14-30-15-13-29/h2-9,16H,10-15H2,1H3,(H,25,26).
What are the key properties of 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine has a molecular weight of 415.50 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine is sourced from PubChem (CID 134805681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).