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

C13H13N3O2 — CID 62902385

IUPACN-(1,2-oxazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(Nc1cnoc1)C1Cc2ccccc2CN1
InChIInChI=1S/C13H13N3O2/c17-13(16-11-7-15-18-8-11)12-5-9-3-1-2-4-10(9)6-14-12/h1-4,7-8,12,14H,5-6H2,(H,16,17)
InChIKeyPFYHEKNWNUVWOP-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.33
Rot. Bonds2

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

N-(1,2-oxazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 62902385) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(1,2-oxazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID62902385
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(1,2-oxazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(Nc1cnoc1)C1Cc2ccccc2CN1
InChIInChI=1S/C13H13N3O2/c17-13(16-11-7-15-18-8-11)12-5-9-3-1-2-4-10(9)6-14-12/h1-4,7-8,12,14H,5-6H2,(H,16,17)
InChIKeyPFYHEKNWNUVWOP-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(1,2-oxazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 55130680
N-(1,2-oxazol-4-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76977109
N-(6-fluoro-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103794922
N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24692281
(3S)-N-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 117075909
N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 75063801
N-[4-(propanoylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119296176
N-(3-iodophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43124629
(3S)-N-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 164829714
N-pyrazin-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43616172
N-(1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43185858
(3S)-N-(5-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 28893634

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-(1,2-oxazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 62902385) is N-(1,2-oxazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-(1,2-oxazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(Nc1cnoc1)C1Cc2ccccc2CN1.
What is the InChIKey of N-(1,2-oxazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is PFYHEKNWNUVWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-13(16-11-7-15-18-8-11)12-5-9-3-1-2-4-10(9)6-14-12/h1-4,7-8,12,14H,5-6H2,(H,16,17).
What are the key properties of N-(1,2-oxazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-(1,2-oxazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.33, 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-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 62902385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).