4-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole

C19H25N3O — CID 70783368

IUPAC4-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2CCCN(C3Cc4ccccc4C3)CC2)co1
InChIInChI=1S/C19H25N3O/c1-15-20-18(14-23-15)13-21-7-4-8-22(10-9-21)19-11-16-5-2-3-6-17(16)12-19/h2-3,5-6,14,19H,4,7-13H2,1H3
InChIKeyGVRMZOMIJFKQDV-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.66
Rot. Bonds3

About 4-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole

4-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole (PubChem CID 70783368) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole
PubChem CID70783368
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name4-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2CCCN(C3Cc4ccccc4C3)CC2)co1
InChIInChI=1S/C19H25N3O/c1-15-20-18(14-23-15)13-21-7-4-8-22(10-9-21)19-11-16-5-2-3-6-17(16)12-19/h2-3,5-6,14,19H,4,7-13H2,1H3
InChIKeyGVRMZOMIJFKQDV-UHFFFAOYSA-N
XLogP2.66
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-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-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole (CID 70783368) is 4-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole is Cc1nc(CN2CCCN(C3Cc4ccccc4C3)CC2)co1.
What is the InChIKey of 4-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole?
The InChIKey is GVRMZOMIJFKQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15-20-18(14-23-15)13-21-7-4-8-22(10-9-21)19-11-16-5-2-3-6-17(16)12-19/h2-3,5-6,14,19H,4,7-13H2,1H3.
What are the key properties of 4-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole?
4-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole has a molecular weight of 311.43 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 70783368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).