3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-4-(methoxymethyl)benzenesulfonamide

C17H16FN3O4S — CID 91556449

IUPAC3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-4-(methoxymethyl)benzenesulfonamide
SMILESCOCc1ccc(S(N)(=O)=O)cc1Nc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H16FN3O4S/c1-24-10-12-4-7-14(26(19,22)23)8-15(12)21-17-20-9-16(25-17)11-2-5-13(18)6-3-11/h2-9H,10H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyPPIYOSLFQOMDGC-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.02
Rot. Bonds6

About 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-4-(methoxymethyl)benzenesulfonamide

3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-4-(methoxymethyl)benzenesulfonamide (PubChem CID 91556449) has the molecular formula C17H16FN3O4S and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-4-(methoxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-4-(methoxymethyl)benzenesulfonamide
PubChem CID91556449
Molecular FormulaC17H16FN3O4S
Molecular Weight377.40 g/mol
Exact Mass377.08
IUPAC Name3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-4-(methoxymethyl)benzenesulfonamide
SMILESCOCc1ccc(S(N)(=O)=O)cc1Nc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H16FN3O4S/c1-24-10-12-4-7-14(26(19,22)23)8-15(12)21-17-20-9-16(25-17)11-2-5-13(18)6-3-11/h2-9H,10H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyPPIYOSLFQOMDGC-UHFFFAOYSA-N
XLogP3.02
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethylsulfonyl-2-methoxyphenyl)-5-[3-(3-fluorophenyl)phenyl]-1,3-oxazol-2-amine
CID 18439732
4-(methoxymethyl)-3-methylbenzenesulfonamide
CID 83271766
N-[2-methoxy-5-(oxolan-2-ylmethylsulfonyl)phenyl]-5-(4-methylphenyl)-1,3-oxazol-2-amine
CID 142884270
5-(4-ethylsulfonylphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832393
4-methoxy-N,N-dimethyl-3-[[5-(3-phenylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide
CID 18439663
4-fluoro-2-(methoxymethyl)benzenesulfonamide
CID 83271454
N-(2,5-difluorophenyl)-4-[2-(methoxymethyl)pyrimidin-5-yl]benzenesulfonamide
CID 141437586
N-(2-methoxyethyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958826
N-(2,4-difluorophenyl)-5-(3-methylphenyl)-1,3-oxazol-2-amine
CID 158173955
N-(5-ethylsulfonyl-2-methoxyphenyl)-5-[3-(2-phenylpyrimidin-4-yl)phenyl]-1,3-oxazol-2-amine
CID 18439730
N-[5-ethylsulfonyl-2-[2-(triazol-1-yl)ethoxy]phenyl]-5-phenyl-1,3-oxazol-2-amine
CID 10048827
N-ethyl-4-methoxy-3-[[5-(3-pyridin-2-ylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide
CID 18439744

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-4-(methoxymethyl)benzenesulfonamide?
The IUPAC name of 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-4-(methoxymethyl)benzenesulfonamide (CID 91556449) is 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-4-(methoxymethyl)benzenesulfonamide.
What is the SMILES notation for 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-4-(methoxymethyl)benzenesulfonamide?
The canonical SMILES for 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-4-(methoxymethyl)benzenesulfonamide is COCc1ccc(S(N)(=O)=O)cc1Nc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-4-(methoxymethyl)benzenesulfonamide?
The InChIKey is PPIYOSLFQOMDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4S/c1-24-10-12-4-7-14(26(19,22)23)8-15(12)21-17-20-9-16(25-17)11-2-5-13(18)6-3-11/h2-9H,10H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-4-(methoxymethyl)benzenesulfonamide?
3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-4-(methoxymethyl)benzenesulfonamide has a molecular weight of 377.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-4-(methoxymethyl)benzenesulfonamide is sourced from PubChem (CID 91556449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).