[(3R)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone

C24H26N4O2 — CID 51952788

IUPAC[(3R)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(-c2nc(CN3Cc4ccccc4C[C@@H]3C(=O)N3CCCC3)no2)c1
InChIInChI=1S/C24H26N4O2/c1-17-7-6-10-19(13-17)23-25-22(26-30-23)16-28-15-20-9-3-2-8-18(20)14-21(28)24(29)27-11-4-5-12-27/h2-3,6-10,13,21H,4-5,11-12,14-16H2,1H3/t21-/m1/s1
InChIKeyRFNCBKIDEBUTPI-OAQYLSRUSA-N
MW402.50 g/mol
LogP3.59
Rot. Bonds4

About [(3R)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone

[(3R)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 51952788) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is [(3R)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID51952788
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name[(3R)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(-c2nc(CN3Cc4ccccc4C[C@@H]3C(=O)N3CCCC3)no2)c1
InChIInChI=1S/C24H26N4O2/c1-17-7-6-10-19(13-17)23-25-22(26-30-23)16-28-15-20-9-3-2-8-18(20)14-21(28)24(29)27-11-4-5-12-27/h2-3,6-10,13,21H,4-5,11-12,14-16H2,1H3/t21-/m1/s1
InChIKeyRFNCBKIDEBUTPI-OAQYLSRUSA-N
XLogP3.59
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 120750800
methyl 4-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate
CID 10087118
(3S,4R)-1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol
CID 79420529
1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one
CID 71823766
N-ethyl-N-phenyl-2-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 51952777
N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide
CID 50755860
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 62875526
3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-phenylimidazolidine-2,4-dione
CID 47048861
[2-[(5-chloro-2-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-piperidin-1-ylmethanone
CID 4546211
N-(2,5-dichlorophenyl)-1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 50755680
ethyl 4-[[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate
CID 159893934
(3S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 87040166

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone (CID 51952788) is [(3R)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone is Cc1cccc(-c2nc(CN3Cc4ccccc4C[C@@H]3C(=O)N3CCCC3)no2)c1.
What is the InChIKey of [(3R)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is RFNCBKIDEBUTPI-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17-7-6-10-19(13-17)23-25-22(26-30-23)16-28-15-20-9-3-2-8-18(20)14-21(28)24(29)27-11-4-5-12-27/h2-3,6-10,13,21H,4-5,11-12,14-16H2,1H3/t21-/m1/s1.
What are the key properties of [(3R)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone?
[(3R)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 402.50 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 51952788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).