3-methyl-7-(2-methylpyrrolidin-2-yl)-1,2-benzoxazole

C13H16N2O — CID 117308417

IUPAC3-methyl-7-(2-methylpyrrolidin-2-yl)-1,2-benzoxazole
SMILESCc1noc2c(C3(C)CCCN3)cccc12
InChIInChI=1S/C13H16N2O/c1-9-10-5-3-6-11(12(10)16-15-9)13(2)7-4-8-14-13/h3,5-6,14H,4,7-8H2,1-2H3
InChIKeyXLURPVPSEBNYKX-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.73
Rot. Bonds1

About 3-methyl-7-(2-methylpyrrolidin-2-yl)-1,2-benzoxazole

3-methyl-7-(2-methylpyrrolidin-2-yl)-1,2-benzoxazole (PubChem CID 117308417) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-methyl-7-(2-methylpyrrolidin-2-yl)-1,2-benzoxazole.

Molecular Properties

Compound Name3-methyl-7-(2-methylpyrrolidin-2-yl)-1,2-benzoxazole
PubChem CID117308417
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-methyl-7-(2-methylpyrrolidin-2-yl)-1,2-benzoxazole
SMILESCc1noc2c(C3(C)CCCN3)cccc12
InChIInChI=1S/C13H16N2O/c1-9-10-5-3-6-11(12(10)16-15-9)13(2)7-4-8-14-13/h3,5-6,14H,4,7-8H2,1-2H3
InChIKeyXLURPVPSEBNYKX-UHFFFAOYSA-N
XLogP2.73
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-7-(2-methylpyrrolidin-2-yl)-1,2-benzoxazole with MolForge

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

Launch Full Analysis

Related Compounds

5-(2-methylpyrrolidin-2-yl)quinoline
CID 81231992
2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine
CID 117388194
2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299724
7-(1-isocyanatocyclopropyl)-3-methyl-1,2-benzoxazole
CID 117305277
2-(2-bromophenyl)-2-methylpyrrolidine
CID 82621906
2-(2,3-dihydro-1H-inden-4-yl)-2-methylpyrrolidine
CID 117290346
2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117324202
2-(2-chlorofuran-3-yl)-2-methylpyrrolidine
CID 82655515
2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-methylpyrrolidine
CID 117354622
2-methyl-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)pyrrolidine
CID 117455663
1-[(3-methyl-1,2-benzoxazol-7-yl)methyl]cyclopropan-1-ol
CID 117291575
2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine
CID 117301634

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(2-methylpyrrolidin-2-yl)-1,2-benzoxazole?
The IUPAC name of 3-methyl-7-(2-methylpyrrolidin-2-yl)-1,2-benzoxazole (CID 117308417) is 3-methyl-7-(2-methylpyrrolidin-2-yl)-1,2-benzoxazole.
What is the SMILES notation for 3-methyl-7-(2-methylpyrrolidin-2-yl)-1,2-benzoxazole?
The canonical SMILES for 3-methyl-7-(2-methylpyrrolidin-2-yl)-1,2-benzoxazole is Cc1noc2c(C3(C)CCCN3)cccc12.
What is the InChIKey of 3-methyl-7-(2-methylpyrrolidin-2-yl)-1,2-benzoxazole?
The InChIKey is XLURPVPSEBNYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-10-5-3-6-11(12(10)16-15-9)13(2)7-4-8-14-13/h3,5-6,14H,4,7-8H2,1-2H3.
What are the key properties of 3-methyl-7-(2-methylpyrrolidin-2-yl)-1,2-benzoxazole?
3-methyl-7-(2-methylpyrrolidin-2-yl)-1,2-benzoxazole has a molecular weight of 216.28 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(2-methylpyrrolidin-2-yl)-1,2-benzoxazole is sourced from PubChem (CID 117308417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).