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

C21H20N4O — CID 134805993

IUPAC3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-propan-2-ylpyridin-2-amine
SMILESCc1noc2c(-c3cccnc3NC(C)C)cc(-c3ccccc3)nc12
InChIInChI=1S/C21H20N4O/c1-13(2)23-21-16(10-7-11-22-21)17-12-18(15-8-5-4-6-9-15)24-19-14(3)25-26-20(17)19/h4-13H,1-3H3,(H,22,23)
InChIKeyYBKMPHUIBIAJLX-UHFFFAOYSA-N
MW344.42 g/mol
LogP5.08
Rot. Bonds4

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

3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-propan-2-ylpyridin-2-amine (PubChem CID 134805993) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-propan-2-ylpyridin-2-amine
PubChem CID134805993
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-propan-2-ylpyridin-2-amine
SMILESCc1noc2c(-c3cccnc3NC(C)C)cc(-c3ccccc3)nc12
InChIInChI=1S/C21H20N4O/c1-13(2)23-21-16(10-7-11-22-21)17-12-18(15-8-5-4-6-9-15)24-19-14(3)25-26-20(17)19/h4-13H,1-3H3,(H,22,23)
InChIKeyYBKMPHUIBIAJLX-UHFFFAOYSA-N
XLogP5.08
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.42
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-propan-2-ylpyridin-2-amine?
The IUPAC name of 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-propan-2-ylpyridin-2-amine (CID 134805993) is 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-propan-2-ylpyridin-2-amine is Cc1noc2c(-c3cccnc3NC(C)C)cc(-c3ccccc3)nc12.
What is the InChIKey of 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is YBKMPHUIBIAJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-13(2)23-21-16(10-7-11-22-21)17-12-18(15-8-5-4-6-9-15)24-19-14(3)25-26-20(17)19/h4-13H,1-3H3,(H,22,23).
What are the key properties of 3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-propan-2-ylpyridin-2-amine?
3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 344.42 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 134805993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).