3-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C19H20N4O3 — CID 71883592

IUPAC3-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1noc2ncc(C(=O)NCc3ccccc3N3CCOCC3)cc12
InChIInChI=1S/C19H20N4O3/c1-13-16-10-15(12-21-19(16)26-22-13)18(24)20-11-14-4-2-3-5-17(14)23-6-8-25-9-7-23/h2-5,10,12H,6-9,11H2,1H3,(H,20,24)
InChIKeyJXFRNUKPIBRJKU-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.30
Rot. Bonds4

About 3-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

3-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 71883592) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID71883592
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1noc2ncc(C(=O)NCc3ccccc3N3CCOCC3)cc12
InChIInChI=1S/C19H20N4O3/c1-13-16-10-15(12-21-19(16)26-22-13)18(24)20-11-14-4-2-3-5-17(14)23-6-8-25-9-7-23/h2-5,10,12H,6-9,11H2,1H3,(H,20,24)
InChIKeyJXFRNUKPIBRJKU-UHFFFAOYSA-N
XLogP2.30
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 71883592) is 3-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is Cc1noc2ncc(C(=O)NCc3ccccc3N3CCOCC3)cc12.
What is the InChIKey of 3-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is JXFRNUKPIBRJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13-16-10-15(12-21-19(16)26-22-13)18(24)20-11-14-4-2-3-5-17(14)23-6-8-25-9-7-23/h2-5,10,12H,6-9,11H2,1H3,(H,20,24).
What are the key properties of 3-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
3-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 71883592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).