4-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-3,5-dimethyl-1,2-oxazole

C14H17N3O — CID 83510648

IUPAC4-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CCNc2ccccc21
InChIInChI=1S/C14H17N3O/c1-10-12(11(2)18-16-10)9-17-8-7-15-13-5-3-4-6-14(13)17/h3-6,15H,7-9H2,1-2H3
InChIKeyCAVWMEABTKECMX-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.72
Rot. Bonds2

About 4-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-3,5-dimethyl-1,2-oxazole

4-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-3,5-dimethyl-1,2-oxazole (PubChem CID 83510648) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-3,5-dimethyl-1,2-oxazole
PubChem CID83510648
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CCNc2ccccc21
InChIInChI=1S/C14H17N3O/c1-10-12(11(2)18-16-10)9-17-8-7-15-13-5-3-4-6-14(13)17/h3-6,15H,7-9H2,1-2H3
InChIKeyCAVWMEABTKECMX-UHFFFAOYSA-N
XLogP2.72
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-3,5-dimethyl-1,2-oxazole 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 4-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-3,5-dimethyl-1,2-oxazole (CID 83510648) is 4-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CN1CCNc2ccccc21.
What is the InChIKey of 4-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is CAVWMEABTKECMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-12(11(2)18-16-10)9-17-8-7-15-13-5-3-4-6-14(13)17/h3-6,15H,7-9H2,1-2H3.
What are the key properties of 4-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-3,5-dimethyl-1,2-oxazole?
4-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 243.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 83510648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).