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

C16H25N3O3 — CID 131697231

IUPAC[3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(oxolan-3-yl)methanone
SMILESCC(C)N(C)Cc1noc2c1CN(C(=O)C1CCOC1)CC2
InChIInChI=1S/C16H25N3O3/c1-11(2)18(3)9-14-13-8-19(6-4-15(13)22-17-14)16(20)12-5-7-21-10-12/h11-12H,4-10H2,1-3H3
InChIKeyIHZQCHLKFDVUTP-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.44
Rot. Bonds4

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

[3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(oxolan-3-yl)methanone (PubChem CID 131697231) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is [3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(oxolan-3-yl)methanone
PubChem CID131697231
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name[3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(oxolan-3-yl)methanone
SMILESCC(C)N(C)Cc1noc2c1CN(C(=O)C1CCOC1)CC2
InChIInChI=1S/C16H25N3O3/c1-11(2)18(3)9-14-13-8-19(6-4-15(13)22-17-14)16(20)12-5-7-21-10-12/h11-12H,4-10H2,1-3H3
InChIKeyIHZQCHLKFDVUTP-UHFFFAOYSA-N
XLogP1.44
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(oxolan-3-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 [3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(oxolan-3-yl)methanone (CID 131697231) is [3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(oxolan-3-yl)methanone is CC(C)N(C)Cc1noc2c1CN(C(=O)C1CCOC1)CC2.
What is the InChIKey of [3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(oxolan-3-yl)methanone?
The InChIKey is IHZQCHLKFDVUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11(2)18(3)9-14-13-8-19(6-4-15(13)22-17-14)16(20)12-5-7-21-10-12/h11-12H,4-10H2,1-3H3.
What are the key properties of [3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(oxolan-3-yl)methanone?
[3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(oxolan-3-yl)methanone has a molecular weight of 307.39 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 131697231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).