(6-methyl-3-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone

C20H19N3O3 — CID 66612485

IUPAC(6-methyl-3-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
SMILESCc1ccc(C(=O)N2CCc3nc(COc4ccccc4)oc3C2)cn1
InChIInChI=1S/C20H19N3O3/c1-14-7-8-15(11-21-14)20(24)23-10-9-17-18(12-23)26-19(22-17)13-25-16-5-3-2-4-6-16/h2-8,11H,9-10,12-13H2,1H3
InChIKeyNAWQKHJZBHZNBC-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.16
Rot. Bonds4

About (6-methyl-3-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone

(6-methyl-3-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone (PubChem CID 66612485) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
PubChem CID66612485
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(6-methyl-3-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
SMILESCc1ccc(C(=O)N2CCc3nc(COc4ccccc4)oc3C2)cn1
InChIInChI=1S/C20H19N3O3/c1-14-7-8-15(11-21-14)20(24)23-10-9-17-18(12-23)26-19(22-17)13-25-16-5-3-2-4-6-16/h2-8,11H,9-10,12-13H2,1H3
InChIKeyNAWQKHJZBHZNBC-UHFFFAOYSA-N
XLogP3.16
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-methyl-3-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
The IUPAC name of (6-methyl-3-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone (CID 66612485) is (6-methyl-3-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone.
What is the SMILES notation for (6-methyl-3-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
The canonical SMILES for (6-methyl-3-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone is Cc1ccc(C(=O)N2CCc3nc(COc4ccccc4)oc3C2)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
The InChIKey is NAWQKHJZBHZNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14-7-8-15(11-21-14)20(24)23-10-9-17-18(12-23)26-19(22-17)13-25-16-5-3-2-4-6-16/h2-8,11H,9-10,12-13H2,1H3.
What are the key properties of (6-methyl-3-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
(6-methyl-3-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone has a molecular weight of 349.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone is sourced from PubChem (CID 66612485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).