N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,2-oxazole-5-carboxamide

C13H13N3O2 — CID 63282573

IUPACN-(1,2,3,4-tetrahydroquinolin-6-yl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCCN2)c1ccno1
InChIInChI=1S/C13H13N3O2/c17-13(12-5-7-15-18-12)16-10-3-4-11-9(8-10)2-1-6-14-11/h3-5,7-8,14H,1-2,6H2,(H,16,17)
InChIKeyNYAKWSJEEALJLB-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.29
Rot. Bonds2

About N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,2-oxazole-5-carboxamide

N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,2-oxazole-5-carboxamide (PubChem CID 63282573) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-6-yl)-1,2-oxazole-5-carboxamide
PubChem CID63282573
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-6-yl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCCN2)c1ccno1
InChIInChI=1S/C13H13N3O2/c17-13(12-5-7-15-18-12)16-10-3-4-11-9(8-10)2-1-6-14-11/h3-5,7-8,14H,1-2,6H2,(H,16,17)
InChIKeyNYAKWSJEEALJLB-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2,3,4-tetrahydroquinolin-6-yl)thiadiazole-4-carboxamide;hydrochloride
CID 119547224
3-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-4-carboxamide
CID 81445909
N-(3,4-difluorophenyl)-1,2-oxazole-5-carboxamide
CID 110693698
5-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide
CID 63282312
N-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopent-3-ene-1-carboxamide
CID 64767021
5-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboxamide
CID 63283038
5-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazine-2-carboxamide;dihydrochloride
CID 119547211
3-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide
CID 107519997
1,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazole-4-carboxamide;hydrochloride
CID 119547166
2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283086
5-chloro-2-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283438
5-chloro-N-(2,3-dihydro-1H-indol-5-yl)furan-2-carboxamide
CID 55168567

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,2-oxazole-5-carboxamide (CID 63282573) is N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,2-oxazole-5-carboxamide is O=C(Nc1ccc2c(c1)CCCN2)c1ccno1.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is NYAKWSJEEALJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-13(12-5-7-15-18-12)16-10-3-4-11-9(8-10)2-1-6-14-11/h3-5,7-8,14H,1-2,6H2,(H,16,17).
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,2-oxazole-5-carboxamide?
N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 63282573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).