3,4-dihydro-1H-isoquinolin-2-yl-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone

C15H17N3O2 — CID 110393015

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESCC(C)c1nnc(C(=O)N2CCc3ccccc3C2)o1
InChIInChI=1S/C15H17N3O2/c1-10(2)13-16-17-14(20-13)15(19)18-8-7-11-5-3-4-6-12(11)9-18/h3-6,10H,7-9H2,1-2H3
InChIKeyDPCSFJYXNLKSBN-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.39
Rot. Bonds2

About 3,4-dihydro-1H-isoquinolin-2-yl-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone

3,4-dihydro-1H-isoquinolin-2-yl-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 110393015) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID110393015
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESCC(C)c1nnc(C(=O)N2CCc3ccccc3C2)o1
InChIInChI=1S/C15H17N3O2/c1-10(2)13-16-17-14(20-13)15(19)18-8-7-11-5-3-4-6-12(11)9-18/h3-6,10H,7-9H2,1-2H3
InChIKeyDPCSFJYXNLKSBN-UHFFFAOYSA-N
XLogP2.39
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-(5-propan-2-yl-1,3,4-oxadiazol-2-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

Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 36674970
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-N-propan-2-ylacetamide
CID 58790057
3,4-dihydro-1H-isoquinolin-2-yl-(2,4,6-trimethylpyrimidin-5-yl)methanone
CID 110852429
3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone
CID 110852369
3,3-dimethyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110396603
3,4-dihydro-1H-isoquinolin-2-yl-(4,5-dimethyl-1,2-oxazol-3-yl)methanone
CID 110852365
3,4-dihydro-1H-isoquinolin-2-yl(1,3-oxazol-5-yl)methanone
CID 96587626
3,4-dihydro-1H-isoquinolin-2-yl-(3-methylfuran-2-yl)methanone
CID 18108226
3,4-dihydro-1H-isoquinolin-2-yl-(7-methyl-1-benzofuran-2-yl)methanone
CID 49014027
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 27659602
3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 84570258
3,4-dihydro-1H-isoquinolin-2-yl-(4-iodo-1-methylpyrazol-3-yl)methanone
CID 5087204

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone (CID 110393015) is 3,4-dihydro-1H-isoquinolin-2-yl-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone is CC(C)c1nnc(C(=O)N2CCc3ccccc3C2)o1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is DPCSFJYXNLKSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10(2)13-16-17-14(20-13)15(19)18-8-7-11-5-3-4-6-12(11)9-18/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 271.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 110393015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).