3,5-dimethyl-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-4-sulfonamide

C19H18N2O4S — CID 90578310

IUPAC3,5-dimethyl-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC#CCOc1cccc2ccccc12
InChIInChI=1S/C19H18N2O4S/c1-14-19(15(2)25-21-14)26(22,23)20-12-5-6-13-24-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11,20H,12-13H2,1-2H3
InChIKeyQRBUGJRVUCRDQL-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.81
Rot. Bonds5

About 3,5-dimethyl-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-4-sulfonamide (PubChem CID 90578310) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3,5-dimethyl-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-4-sulfonamide
PubChem CID90578310
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name3,5-dimethyl-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC#CCOc1cccc2ccccc12
InChIInChI=1S/C19H18N2O4S/c1-14-19(15(2)25-21-14)26(22,23)20-12-5-6-13-24-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11,20H,12-13H2,1-2H3
InChIKeyQRBUGJRVUCRDQL-UHFFFAOYSA-N
XLogP2.81
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N-(4-quinolin-8-yloxybut-2-ynyl)-1,2-oxazole-4-sulfonamide
CID 90579937
1-(3-methylphenyl)-N-(4-naphthalen-1-yloxybut-2-ynyl)methanesulfonamide
CID 90578345
1-(4-fluorophenyl)-N-(4-naphthalen-1-yloxybut-2-ynyl)methanesulfonamide
CID 90578344
5-fluoro-2-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)benzenesulfonamide
CID 90578313
N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3238779
N-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 39666367
3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide
CID 24556296
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 108572427
N-(2,2-diphenylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 26545265
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 90598090
N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide
CID 90578060
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 93157673

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-4-sulfonamide (CID 90578310) is 3,5-dimethyl-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCC#CCOc1cccc2ccccc12.
What is the InChIKey of 3,5-dimethyl-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is QRBUGJRVUCRDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-14-19(15(2)25-21-14)26(22,23)20-12-5-6-13-24-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11,20H,12-13H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 370.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 90578310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).