N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C16H19N3O2 — CID 79231898

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCc1noc(C)c1CNC(=O)C1CNCc2ccccc21
InChIInChI=1S/C16H19N3O2/c1-10-14(11(2)21-19-10)9-18-16(20)15-8-17-7-12-5-3-4-6-13(12)15/h3-6,15,17H,7-9H2,1-2H3,(H,18,20)
InChIKeyIDMWODZXJVEHTP-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.79
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 79231898) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID79231898
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCc1noc(C)c1CNC(=O)C1CNCc2ccccc21
InChIInChI=1S/C16H19N3O2/c1-10-14(11(2)21-19-10)9-18-16(20)15-8-17-7-12-5-3-4-6-13(12)15/h3-6,15,17H,7-9H2,1-2H3,(H,18,20)
InChIKeyIDMWODZXJVEHTP-UHFFFAOYSA-N
XLogP1.79
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide with MolForge

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262263
N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260647
N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260981
trans-(1S,2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 97314365
N-(2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 103461461
N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260937
N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 104761331
N-[2-(2-methoxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262588
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119753263
2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate
CID 83210191
N-(1,2-oxazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262162
N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260690

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 79231898) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is Cc1noc(C)c1CNC(=O)C1CNCc2ccccc21.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is IDMWODZXJVEHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-14(11(2)21-19-10)9-18-16(20)15-8-17-7-12-5-3-4-6-13(12)15/h3-6,15,17H,7-9H2,1-2H3,(H,18,20).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 79231898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).