N-(5-phenyl-1,2-oxazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C19H17N3O2 — CID 108812671

IUPACN-(5-phenyl-1,2-oxazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)on1)N1CCc2ccccc2C1
InChIInChI=1S/C19H17N3O2/c23-19(22-11-10-14-6-4-5-9-16(14)13-22)20-18-12-17(24-21-18)15-7-2-1-3-8-15/h1-9,12H,10-11,13H2,(H,20,21,23)
InChIKeyOHDMZZJEPCJMBK-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.93
Rot. Bonds2

About N-(5-phenyl-1,2-oxazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-(5-phenyl-1,2-oxazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 108812671) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(5-phenyl-1,2-oxazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(5-phenyl-1,2-oxazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID108812671
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-(5-phenyl-1,2-oxazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)on1)N1CCc2ccccc2C1
InChIInChI=1S/C19H17N3O2/c23-19(22-11-10-14-6-4-5-9-16(14)13-22)20-18-12-17(24-21-18)15-7-2-1-3-8-15/h1-9,12H,10-11,13H2,(H,20,21,23)
InChIKeyOHDMZZJEPCJMBK-UHFFFAOYSA-N
XLogP3.93
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-phenyl-2,5-dihydropyrrole-1-carboxamide
CID 166229604
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,2-oxazole-3-carboxylic acid
CID 117218050
4-(oxane-4-carbonyl)-N-(5-phenyl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide
CID 54581476
N-(3,5-dihydroxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108895492
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 146138655
[(3R,4R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 133125471
N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 846926
N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3722367
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 109137578
N-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110866118
N-(4-acetyl-3-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 20716372
N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 75518844

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,2-oxazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-(5-phenyl-1,2-oxazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 108812671) is N-(5-phenyl-1,2-oxazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-(5-phenyl-1,2-oxazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-(5-phenyl-1,2-oxazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(Nc1cc(-c2ccccc2)on1)N1CCc2ccccc2C1.
What is the InChIKey of N-(5-phenyl-1,2-oxazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is OHDMZZJEPCJMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-19(22-11-10-14-6-4-5-9-16(14)13-22)20-18-12-17(24-21-18)15-7-2-1-3-8-15/h1-9,12H,10-11,13H2,(H,20,21,23).
What are the key properties of N-(5-phenyl-1,2-oxazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-(5-phenyl-1,2-oxazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,2-oxazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 108812671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).