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

C17H21N3O2 — CID 97413637

IUPACcyclopropyl-[3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCc1ccc(C)n1Cc1noc2c1CN(C(=O)C1CC1)CC2
InChIInChI=1S/C17H21N3O2/c1-11-3-4-12(2)20(11)10-15-14-9-19(17(21)13-5-6-13)8-7-16(14)22-18-15/h3-4,13H,5-10H2,1-2H3
InChIKeyGYIQRVDYTQKDOX-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.44
Rot. Bonds3

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

cyclopropyl-[3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 97413637) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is cyclopropyl-[3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID97413637
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Namecyclopropyl-[3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCc1ccc(C)n1Cc1noc2c1CN(C(=O)C1CC1)CC2
InChIInChI=1S/C17H21N3O2/c1-11-3-4-12(2)20(11)10-15-14-9-19(17(21)13-5-6-13)8-7-16(14)22-18-15/h3-4,13H,5-10H2,1-2H3
InChIKeyGYIQRVDYTQKDOX-UHFFFAOYSA-N
XLogP2.44
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]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 cyclopropyl-[3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of cyclopropyl-[3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone (CID 97413637) is cyclopropyl-[3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone is Cc1ccc(C)n1Cc1noc2c1CN(C(=O)C1CC1)CC2.
What is the InChIKey of cyclopropyl-[3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is GYIQRVDYTQKDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-3-4-12(2)20(11)10-15-14-9-19(17(21)13-5-6-13)8-7-16(14)22-18-15/h3-4,13H,5-10H2,1-2H3.
What are the key properties of cyclopropyl-[3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
cyclopropyl-[3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 299.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[(2,5-dimethylpyrrol-1-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 97413637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).