(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

C17H16N4O2 — CID 51076263

IUPAC(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESCc1noc2ncc(C(=O)N3CCCC3c3ccncc3)cc12
InChIInChI=1S/C17H16N4O2/c1-11-14-9-13(10-19-16(14)23-20-11)17(22)21-8-2-3-15(21)12-4-6-18-7-5-12/h4-7,9-10,15H,2-3,8H2,1H3
InChIKeyLIWTTWLCTUZWFB-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.90
Rot. Bonds2

About (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 51076263) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
PubChem CID51076263
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESCc1noc2ncc(C(=O)N3CCCC3c3ccncc3)cc12
InChIInChI=1S/C17H16N4O2/c1-11-14-9-13(10-19-16(14)23-20-11)17(22)21-8-2-3-15(21)12-4-6-18-7-5-12/h4-7,9-10,15H,2-3,8H2,1H3
InChIKeyLIWTTWLCTUZWFB-UHFFFAOYSA-N
XLogP2.90
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (CID 51076263) is (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is Cc1noc2ncc(C(=O)N3CCCC3c3ccncc3)cc12.
What is the InChIKey of (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is LIWTTWLCTUZWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-14-9-13(10-19-16(14)23-20-11)17(22)21-8-2-3-15(21)12-4-6-18-7-5-12/h4-7,9-10,15H,2-3,8H2,1H3.
What are the key properties of (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 308.34 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 51076263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).