[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone

C19H23N3O3 — CID 124890168

IUPAC[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
SMILESCOc1ccc2c(c1)[C@H](C(=O)N1CCCCC[C@@H]1c1ncon1)CC2
InChIInChI=1S/C19H23N3O3/c1-24-14-8-6-13-7-9-15(16(13)11-14)19(23)22-10-4-2-3-5-17(22)18-20-12-25-21-18/h6,8,11-12,15,17H,2-5,7,9-10H2,1H3/t15-,17-/m1/s1
InChIKeyOPISQIHILMJUSP-NVXWUHKLSA-N
MW341.41 g/mol
LogP3.25
Rot. Bonds3

About [(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone

[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone (PubChem CID 124890168) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone.

Molecular Properties

Compound Name[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
PubChem CID124890168
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
SMILESCOc1ccc2c(c1)[C@H](C(=O)N1CCCCC[C@@H]1c1ncon1)CC2
InChIInChI=1S/C19H23N3O3/c1-24-14-8-6-13-7-9-15(16(13)11-14)19(23)22-10-4-2-3-5-17(22)18-20-12-25-21-18/h6,8,11-12,15,17H,2-5,7,9-10H2,1H3/t15-,17-/m1/s1
InChIKeyOPISQIHILMJUSP-NVXWUHKLSA-N
XLogP3.25
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-cyclopropyl-4-methoxyphenyl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 125139175
[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 124888579
2-(2-methoxy-5-methylphenyl)-1-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 136534988
1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 166211162
N,N-dimethyl-2-(1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
CID 91650313
(3,5-dimethylfuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 99778689
[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 99828604
2-(1-methylcyclohexyl)-1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 127649525
3-cyclopropyl-3-methyl-1-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]butan-1-one
CID 129344872
[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 99828512
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(3-propoxyphenyl)ethanone
CID 126770521

Frequently Asked Questions

What is the IUPAC name of [(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
The IUPAC name of [(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone (CID 124890168) is [(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone.
What is the SMILES notation for [(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
The canonical SMILES for [(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone is COc1ccc2c(c1)[C@H](C(=O)N1CCCCC[C@@H]1c1ncon1)CC2.
What is the InChIKey of [(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
The InChIKey is OPISQIHILMJUSP-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-14-8-6-13-7-9-15(16(13)11-14)19(23)22-10-4-2-3-5-17(22)18-20-12-25-21-18/h6,8,11-12,15,17H,2-5,7,9-10H2,1H3/t15-,17-/m1/s1.
What are the key properties of [(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone is sourced from PubChem (CID 124890168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).