N-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C14H17FN2O4S — CID 39666367

IUPACN-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCCOc1ccccc1F
InChIInChI=1S/C14H17FN2O4S/c1-10-14(11(2)21-17-10)22(18,19)16-8-5-9-20-13-7-4-3-6-12(13)15/h3-4,6-7,16H,5,8-9H2,1-2H3
InChIKeyJWUDTCNHLBZOBO-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.18
Rot. Bonds7

About N-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 39666367) has the molecular formula C14H17FN2O4S and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID39666367
Molecular FormulaC14H17FN2O4S
Molecular Weight328.37 g/mol
Exact Mass328.09
IUPAC NameN-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCCOc1ccccc1F
InChIInChI=1S/C14H17FN2O4S/c1-10-14(11(2)21-17-10)22(18,19)16-8-5-9-20-13-7-4-3-6-12(13)15/h3-4,6-7,16H,5,8-9H2,1-2H3
InChIKeyJWUDTCNHLBZOBO-UHFFFAOYSA-N
XLogP2.18
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110288279
N-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 32937382
1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(2-fluorophenoxy)propyl]urea
CID 95904909
N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 71810666
N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3238779
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 108572427
N-(3-cyclopentyloxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 48945511
3,5-dimethyl-N-[2-(4-propylphenoxy)ethyl]-1,2-oxazole-4-sulfonamide
CID 100564276
3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide
CID 24556296
N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119960057
3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide
CID 61131991
N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3452396

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 39666367) is N-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCCOc1ccccc1F.
What is the InChIKey of N-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is JWUDTCNHLBZOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4S/c1-10-14(11(2)21-17-10)22(18,19)16-8-5-9-20-13-7-4-3-6-12(13)15/h3-4,6-7,16H,5,8-9H2,1-2H3.
What are the key properties of N-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 328.37 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 39666367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).