N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C16H22FN3O3S — CID 51127504

IUPACN-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(CCN(C)C)Cc1cccc(F)c1
InChIInChI=1S/C16H22FN3O3S/c1-12-16(13(2)23-18-12)24(21,22)20(9-8-19(3)4)11-14-6-5-7-15(17)10-14/h5-7,10H,8-9,11H2,1-4H3
InChIKeyPUDYFTGGIPZBFG-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.18
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 51127504) has the molecular formula C16H22FN3O3S and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID51127504
Molecular FormulaC16H22FN3O3S
Molecular Weight355.44 g/mol
Exact Mass355.14
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(CCN(C)C)Cc1cccc(F)c1
InChIInChI=1S/C16H22FN3O3S/c1-12-16(13(2)23-18-12)24(21,22)20(9-8-19(3)4)11-14-6-5-7-15(17)10-14/h5-7,10H,8-9,11H2,1-4H3
InChIKeyPUDYFTGGIPZBFG-UHFFFAOYSA-N
XLogP2.18
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 51127504) is N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(CCN(C)C)Cc1cccc(F)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is PUDYFTGGIPZBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3S/c1-12-16(13(2)23-18-12)24(21,22)20(9-8-19(3)4)11-14-6-5-7-15(17)10-14/h5-7,10H,8-9,11H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 355.44 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 51127504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).