5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide

C14H15N3O2 — CID 63901115

IUPAC5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc2c(c1)CNCC2
InChIInChI=1S/C14H15N3O2/c1-9-13(8-16-19-9)14(18)17-12-3-2-10-4-5-15-7-11(10)6-12/h2-3,6,8,15H,4-5,7H2,1H3,(H,17,18)
InChIKeyNKQHIDUVBLPITN-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.88
Rot. Bonds2

About 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide

5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide (PubChem CID 63901115) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide
PubChem CID63901115
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc2c(c1)CNCC2
InChIInChI=1S/C14H15N3O2/c1-9-13(8-16-19-9)14(18)17-12-3-2-10-4-5-15-7-11(10)6-12/h2-3,6,8,15H,4-5,7H2,1H3,(H,17,18)
InChIKeyNKQHIDUVBLPITN-UHFFFAOYSA-N
XLogP1.88
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride
CID 119581069
5-methyl-N-[4-(piperidine-4-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide
CID 119300715
2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901319
N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 19439747
2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride
CID 119581059
2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901524
2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 107983127
3-chloro-2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 107098171
N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850525
5-methyl-1-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-4-carboxamide
CID 75495888
2-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide;hydrochloride
CID 75495881
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide
CID 63900297

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide (CID 63901115) is 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc2c(c1)CNCC2.
What is the InChIKey of 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is NKQHIDUVBLPITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-13(8-16-19-9)14(18)17-12-3-2-10-4-5-15-7-11(10)6-12/h2-3,6,8,15H,4-5,7H2,1H3,(H,17,18).
What are the key properties of 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide?
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 63901115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).