N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C19H20N4O3S — CID 113028160

IUPACN-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(N2CCc3ccccc3C2)cn1
InChIInChI=1S/C19H20N4O3S/c1-13-19(14(2)26-21-13)27(24,25)22-18-8-7-17(11-20-18)23-10-9-15-5-3-4-6-16(15)12-23/h3-8,11H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyOCXHLGHUVLASQG-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.05
Rot. Bonds4

About N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 113028160) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID113028160
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(N2CCc3ccccc3C2)cn1
InChIInChI=1S/C19H20N4O3S/c1-13-19(14(2)26-21-13)27(24,25)22-18-8-7-17(11-20-18)23-10-9-15-5-3-4-6-16(15)12-23/h3-8,11H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyOCXHLGHUVLASQG-UHFFFAOYSA-N
XLogP3.05
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]benzenesulfonamide
CID 113028143
4-chloro-N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]benzenesulfonamide
CID 113028146
N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113028102
N-[6-(2-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113019369
3,5-dimethyl-N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-1,2-oxazole-4-sulfonamide
CID 113050740
N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113031841
N-[5-(azepan-1-yl)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
CID 113031108
3,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazole-4-sulfonamide
CID 113009202
N-[6-(cyclopentylamino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113038928
(3S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 7477321
N-[5-(azepan-1-yl)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113031132
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113032084

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 113028160) is N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc(N2CCc3ccccc3C2)cn1.
What is the InChIKey of N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is OCXHLGHUVLASQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-13-19(14(2)26-21-13)27(24,25)22-18-8-7-17(11-20-18)23-10-9-15-5-3-4-6-16(15)12-23/h3-8,11H,9-10,12H2,1-2H3,(H,20,22).
What are the key properties of N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 384.46 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 113028160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).