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

C24H21FN2O3S — CID 19698620

IUPAC4-[4-(4-fluorophenyl)-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2oc(CCCc3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H21FN2O3S/c25-20-13-9-18(10-14-20)23-24(19-11-15-21(16-12-19)31(26,28)29)30-22(27-23)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-16H,4,7-8H2,(H2,26,28,29)
InChIKeyRTLSOJAJCLQEEL-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.97
Rot. Bonds7

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

4-[4-(4-fluorophenyl)-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide (PubChem CID 19698620) has the molecular formula C24H21FN2O3S and a molecular weight of 436.51 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide
PubChem CID19698620
Molecular FormulaC24H21FN2O3S
Molecular Weight436.51 g/mol
Exact Mass436.13
IUPAC Name4-[4-(4-fluorophenyl)-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2oc(CCCc3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H21FN2O3S/c25-20-13-9-18(10-14-20)23-24(19-11-15-21(16-12-19)31(26,28)29)30-22(27-23)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-16H,4,7-8H2,(H2,26,28,29)
InChIKeyRTLSOJAJCLQEEL-UHFFFAOYSA-N
XLogP4.97
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide (CID 19698620) is 4-[4-(4-fluorophenyl)-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2oc(CCCc3ccccc3)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The InChIKey is RTLSOJAJCLQEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3S/c25-20-13-9-18(10-14-20)23-24(19-11-15-21(16-12-19)31(26,28)29)30-22(27-23)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-16H,4,7-8H2,(H2,26,28,29).
What are the key properties of 4-[4-(4-fluorophenyl)-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide?
4-[4-(4-fluorophenyl)-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide has a molecular weight of 436.51 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 19698620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).