N-(1,2-oxazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C13H13N3O2 — CID 65262162

IUPACN-(1,2-oxazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(Nc1ccon1)C1CNCc2ccccc21
InChIInChI=1S/C13H13N3O2/c17-13(15-12-5-6-18-16-12)11-8-14-7-9-3-1-2-4-10(9)11/h1-6,11,14H,7-8H2,(H,15,16,17)
InChIKeyMCSMYAGREDHPGC-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.50
Rot. Bonds2

About N-(1,2-oxazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-(1,2-oxazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65262162) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(1,2-oxazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65262162
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(1,2-oxazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(Nc1ccon1)C1CNCc2ccccc21
InChIInChI=1S/C13H13N3O2/c17-13(15-12-5-6-18-16-12)11-8-14-7-9-3-1-2-4-10(9)11/h1-6,11,14H,7-8H2,(H,15,16,17)
InChIKeyMCSMYAGREDHPGC-UHFFFAOYSA-N
XLogP1.50
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260753
N-(1-phenyltriazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 167874848
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260610
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260503
N-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262068
N-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82584264
N-(5-bromo-4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 79735984
N-(thiadiazol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 114912361
N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260797
N-(4-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260692
N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261026
N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260739

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(1,2-oxazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65262162) is N-(1,2-oxazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(1,2-oxazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is O=C(Nc1ccon1)C1CNCc2ccccc21.
What is the InChIKey of N-(1,2-oxazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is MCSMYAGREDHPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-13(15-12-5-6-18-16-12)11-8-14-7-9-3-1-2-4-10(9)11/h1-6,11,14H,7-8H2,(H,15,16,17).
What are the key properties of N-(1,2-oxazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(1,2-oxazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65262162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).