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

C24H24N4O2 — CID 134806948

IUPAC3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESCc1noc2c(-c3cccnc3NCC3CCOCC3)cc(-c3ccccc3)nc12
InChIInChI=1S/C24H24N4O2/c1-16-22-23(30-28-16)20(14-21(27-22)18-6-3-2-4-7-18)19-8-5-11-25-24(19)26-15-17-9-12-29-13-10-17/h2-8,11,14,17H,9-10,12-13,15H2,1H3,(H,25,26)
InChIKeyPJAOJSNBNLJKEL-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.10
Rot. Bonds5

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

3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine (PubChem CID 134806948) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine
PubChem CID134806948
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESCc1noc2c(-c3cccnc3NCC3CCOCC3)cc(-c3ccccc3)nc12
InChIInChI=1S/C24H24N4O2/c1-16-22-23(30-28-16)20(14-21(27-22)18-6-3-2-4-7-18)19-8-5-11-25-24(19)26-15-17-9-12-29-13-10-17/h2-8,11,14,17H,9-10,12-13,15H2,1H3,(H,25,26)
InChIKeyPJAOJSNBNLJKEL-UHFFFAOYSA-N
XLogP5.10
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(oxan-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine (CID 134806948) is 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine is Cc1noc2c(-c3cccnc3NCC3CCOCC3)cc(-c3ccccc3)nc12.
What is the InChIKey of 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine?
The InChIKey is PJAOJSNBNLJKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-16-22-23(30-28-16)20(14-21(27-22)18-6-3-2-4-7-18)19-8-5-11-25-24(19)26-15-17-9-12-29-13-10-17/h2-8,11,14,17H,9-10,12-13,15H2,1H3,(H,25,26).
What are the key properties of 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine?
3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine has a molecular weight of 400.48 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-(oxan-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 134806948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).