[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(1,2-oxazolidin-2-yl)methanone

C17H19N3O3 — CID 26394249

IUPAC[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C(c1coc(CN2CCc3ccccc3C2)n1)N1CCCO1
InChIInChI=1S/C17H19N3O3/c21-17(20-7-3-9-23-20)15-12-22-16(18-15)11-19-8-6-13-4-1-2-5-14(13)10-19/h1-2,4-5,12H,3,6-11H2
InChIKeyYMWQZGWYSFBLPK-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.01
Rot. Bonds3

About [2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(1,2-oxazolidin-2-yl)methanone

[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 26394249) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is [2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID26394249
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C(c1coc(CN2CCc3ccccc3C2)n1)N1CCCO1
InChIInChI=1S/C17H19N3O3/c21-17(20-7-3-9-23-20)15-12-22-16(18-15)11-19-8-6-13-4-1-2-5-14(13)10-19/h1-2,4-5,12H,3,6-11H2
InChIKeyYMWQZGWYSFBLPK-UHFFFAOYSA-N
XLogP2.01
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 95204810
[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 56707163
[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45218773
methyl 2-[(2S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazole-4-carbonyl]-3-oxopiperazin-2-yl]acetate
CID 92641138
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 26408229
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,3-oxazole-4-carboxamide
CID 31017622
2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 136550652
2-(piperidin-1-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 68621530
[2-[(4-benzylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methanone
CID 56722454
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazole-4-carboxylic acid
CID 39159965
5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397824
(4-benzylpiperazin-1-yl)-[2-[[4-(furan-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42856327

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(1,2-oxazolidin-2-yl)methanone (CID 26394249) is [2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(1,2-oxazolidin-2-yl)methanone is O=C(c1coc(CN2CCc3ccccc3C2)n1)N1CCCO1.
What is the InChIKey of [2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is YMWQZGWYSFBLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-17(20-7-3-9-23-20)15-12-22-16(18-15)11-19-8-6-13-4-1-2-5-14(13)10-19/h1-2,4-5,12H,3,6-11H2.
What are the key properties of [2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(1,2-oxazolidin-2-yl)methanone?
[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 313.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 26394249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).