3-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-5-carboxamide

C15H17N3O3 — CID 22597836

IUPAC3-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)CN(C)CC3)on1
InChIInChI=1S/C15H17N3O3/c1-18-6-5-10-3-4-12(7-11(10)9-18)16-15(19)13-8-14(20-2)17-21-13/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,19)
InChIKeyDJBBVTOSBJCAKJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.92
Rot. Bonds3

About 3-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-5-carboxamide

3-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-5-carboxamide (PubChem CID 22597836) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-5-carboxamide
PubChem CID22597836
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)CN(C)CC3)on1
InChIInChI=1S/C15H17N3O3/c1-18-6-5-10-3-4-12(7-11(10)9-18)16-15(19)13-8-14(20-2)17-21-13/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,19)
InChIKeyDJBBVTOSBJCAKJ-UHFFFAOYSA-N
XLogP1.92
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 90573837
2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 18687364
N-(3-fluoro-4-methylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802467
2-bromo-5-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597747
4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 10066617
4-bromo-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597703
4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597840
1-[4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528030
2,4-difluoro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597780
4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(1,1,2,2,2-pentafluoroethyl)benzamide;hydrochloride
CID 22597764
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 166215739
N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(trifluoromethoxy)benzamide
CID 70206950

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-5-carboxamide (CID 22597836) is 3-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-5-carboxamide is COc1cc(C(=O)Nc2ccc3c(c2)CN(C)CC3)on1.
What is the InChIKey of 3-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is DJBBVTOSBJCAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18-6-5-10-3-4-12(7-11(10)9-18)16-15(19)13-8-14(20-2)17-21-13/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,19).
What are the key properties of 3-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-5-carboxamide?
3-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 22597836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).