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

C17H21N3O2 — CID 170504287

IUPAC(2,6-dimethyl-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESCc1cc(C(=O)N2CCc3oc(C(C)C)nc3C2)cc(C)n1
InChIInChI=1S/C17H21N3O2/c1-10(2)16-19-14-9-20(6-5-15(14)22-16)17(21)13-7-11(3)18-12(4)8-13/h7-8,10H,5-6,9H2,1-4H3
InChIKeyLKKXQFDUQXZLHS-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.01
Rot. Bonds2

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

(2,6-dimethyl-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 170504287) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2,6-dimethyl-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethyl-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID170504287
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2,6-dimethyl-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESCc1cc(C(=O)N2CCc3oc(C(C)C)nc3C2)cc(C)n1
InChIInChI=1S/C17H21N3O2/c1-10(2)16-19-14-9-20(6-5-15(14)22-16)17(21)13-7-11(3)18-12(4)8-13/h7-8,10H,5-6,9H2,1-4H3
InChIKeyLKKXQFDUQXZLHS-UHFFFAOYSA-N
XLogP3.01
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,6-dimethyl-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-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 (2,6-dimethyl-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (2,6-dimethyl-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (CID 170504287) is (2,6-dimethyl-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2,6-dimethyl-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (2,6-dimethyl-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is Cc1cc(C(=O)N2CCc3oc(C(C)C)nc3C2)cc(C)n1.
What is the InChIKey of (2,6-dimethyl-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is LKKXQFDUQXZLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-10(2)16-19-14-9-20(6-5-15(14)22-16)17(21)13-7-11(3)18-12(4)8-13/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of (2,6-dimethyl-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
(2,6-dimethyl-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 170504287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).