3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-(2-hydroxycyclopentyl)-1,2-oxazole-5-sulfonamide

C22H23FN2O6S — CID 177357133

IUPAC3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-(2-hydroxycyclopentyl)-1,2-oxazole-5-sulfonamide
SMILESCOc1ccc(-c2cc(S(=O)(=O)NC3CCCC3O)on2)cc1OCc1ccc(F)cc1
InChIInChI=1S/C22H23FN2O6S/c1-29-20-10-7-15(11-21(20)30-13-14-5-8-16(23)9-6-14)18-12-22(31-24-18)32(27,28)25-17-3-2-4-19(17)26/h5-12,17,19,25-26H,2-4,13H2,1H3
InChIKeyMPEQXPMPCFJTNR-UHFFFAOYSA-N
MW462.50 g/mol
LogP3.26
Rot. Bonds8

About 3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-(2-hydroxycyclopentyl)-1,2-oxazole-5-sulfonamide

3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-(2-hydroxycyclopentyl)-1,2-oxazole-5-sulfonamide (PubChem CID 177357133) has the molecular formula C22H23FN2O6S and a molecular weight of 462.50 g/mol. Its IUPAC name is 3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-(2-hydroxycyclopentyl)-1,2-oxazole-5-sulfonamide.

Molecular Properties

Compound Name3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-(2-hydroxycyclopentyl)-1,2-oxazole-5-sulfonamide
PubChem CID177357133
Molecular FormulaC22H23FN2O6S
Molecular Weight462.50 g/mol
Exact Mass462.13
IUPAC Name3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-(2-hydroxycyclopentyl)-1,2-oxazole-5-sulfonamide
SMILESCOc1ccc(-c2cc(S(=O)(=O)NC3CCCC3O)on2)cc1OCc1ccc(F)cc1
InChIInChI=1S/C22H23FN2O6S/c1-29-20-10-7-15(11-21(20)30-13-14-5-8-16(23)9-6-14)18-12-22(31-24-18)32(27,28)25-17-3-2-4-19(17)26/h5-12,17,19,25-26H,2-4,13H2,1H3
InChIKeyMPEQXPMPCFJTNR-UHFFFAOYSA-N
XLogP3.26
TPSA110.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-5-methyl-1,2-oxazole
CID 177357080
3-bromo-N-(2-hydroxycyclohexyl)-4-methoxybenzenesulfonamide
CID 62359246
4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide
CID 40650403
5-(4-fluorophenyl)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 83287470
3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 4559405
3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid
CID 117465686
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-fluorophenyl)methoxy]benzoate
CID 29362114
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol
CID 118305351
dimethyl 3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169388460
2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 60612459
3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3696985
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-(2-hydroxycyclopentyl)-1,2-oxazole-5-sulfonamide?
The IUPAC name of 3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-(2-hydroxycyclopentyl)-1,2-oxazole-5-sulfonamide (CID 177357133) is 3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-(2-hydroxycyclopentyl)-1,2-oxazole-5-sulfonamide.
What is the SMILES notation for 3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-(2-hydroxycyclopentyl)-1,2-oxazole-5-sulfonamide?
The canonical SMILES for 3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-(2-hydroxycyclopentyl)-1,2-oxazole-5-sulfonamide is COc1ccc(-c2cc(S(=O)(=O)NC3CCCC3O)on2)cc1OCc1ccc(F)cc1.
What is the InChIKey of 3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-(2-hydroxycyclopentyl)-1,2-oxazole-5-sulfonamide?
The InChIKey is MPEQXPMPCFJTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O6S/c1-29-20-10-7-15(11-21(20)30-13-14-5-8-16(23)9-6-14)18-12-22(31-24-18)32(27,28)25-17-3-2-4-19(17)26/h5-12,17,19,25-26H,2-4,13H2,1H3.
What are the key properties of 3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-(2-hydroxycyclopentyl)-1,2-oxazole-5-sulfonamide?
3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-(2-hydroxycyclopentyl)-1,2-oxazole-5-sulfonamide has a molecular weight of 462.50 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-(2-hydroxycyclopentyl)-1,2-oxazole-5-sulfonamide is sourced from PubChem (CID 177357133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).