N-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-sulfonamide

C17H16FN3O3S — CID 110360783

IUPACN-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(Cc1cccnc1)c1cccc(F)c1
InChIInChI=1S/C17H16FN3O3S/c1-12-17(13(2)24-20-12)25(22,23)21(11-14-5-4-8-19-10-14)16-7-3-6-15(18)9-16/h3-10H,11H2,1-2H3
InChIKeyAXKCJCZCSAYNIT-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.22
Rot. Bonds5

About N-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-sulfonamide

N-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-sulfonamide (PubChem CID 110360783) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-sulfonamide
PubChem CID110360783
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC NameN-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(Cc1cccnc1)c1cccc(F)c1
InChIInChI=1S/C17H16FN3O3S/c1-12-17(13(2)24-20-12)25(22,23)21(11-14-5-4-8-19-10-14)16-7-3-6-15(18)9-16/h3-10H,11H2,1-2H3
InChIKeyAXKCJCZCSAYNIT-UHFFFAOYSA-N
XLogP3.22
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 110360875
N-benzyl-N-(4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3682989
methyl 3-[(3-fluoro-N-pyridin-3-ylsulfonylanilino)methyl]benzoate
CID 174898574
N'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28771525
N-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylacetamide
CID 71916629
N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360936
N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfonamide
CID 159070876
1,1-diethyl-3-(3-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 110360744
2-(4-aminophenyl)-N-[1-[(2R)-1-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-fluoroanilino]propan-2-yl]piperidin-4-yl]acetamide
CID 89206677
N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360932
N-[(5-fluoro-2-methoxyphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 24608462
N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110360546

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-sulfonamide (CID 110360783) is N-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(Cc1cccnc1)c1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is AXKCJCZCSAYNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c1-12-17(13(2)24-20-12)25(22,23)21(11-14-5-4-8-19-10-14)16-7-3-6-15(18)9-16/h3-10H,11H2,1-2H3.
What are the key properties of N-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-sulfonamide?
N-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 361.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110360783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).