4-(benzenesulfonyl)-2-phenyl-5-propylsulfanyl-1,3-oxazole

C18H17NO3S2 — CID 2156966

IUPAC4-(benzenesulfonyl)-2-phenyl-5-propylsulfanyl-1,3-oxazole
SMILESCCCSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H17NO3S2/c1-2-13-23-18-17(24(20,21)15-11-7-4-8-12-15)19-16(22-18)14-9-5-3-6-10-14/h3-12H,2,13H2,1H3
InChIKeyUHPBQQWTDLOAPJ-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.68
Rot. Bonds6

About 4-(benzenesulfonyl)-2-phenyl-5-propylsulfanyl-1,3-oxazole

4-(benzenesulfonyl)-2-phenyl-5-propylsulfanyl-1,3-oxazole (PubChem CID 2156966) has the molecular formula C18H17NO3S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-phenyl-5-propylsulfanyl-1,3-oxazole.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-phenyl-5-propylsulfanyl-1,3-oxazole
PubChem CID2156966
Molecular FormulaC18H17NO3S2
Molecular Weight359.47 g/mol
Exact Mass359.06
IUPAC Name4-(benzenesulfonyl)-2-phenyl-5-propylsulfanyl-1,3-oxazole
SMILESCCCSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H17NO3S2/c1-2-13-23-18-17(24(20,21)15-11-7-4-8-12-15)19-16(22-18)14-9-5-3-6-10-14/h3-12H,2,13H2,1H3
InChIKeyUHPBQQWTDLOAPJ-UHFFFAOYSA-N
XLogP4.68
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-phenyl-5-propylsulfanyl-1,3-oxazole?
The IUPAC name of 4-(benzenesulfonyl)-2-phenyl-5-propylsulfanyl-1,3-oxazole (CID 2156966) is 4-(benzenesulfonyl)-2-phenyl-5-propylsulfanyl-1,3-oxazole.
What is the SMILES notation for 4-(benzenesulfonyl)-2-phenyl-5-propylsulfanyl-1,3-oxazole?
The canonical SMILES for 4-(benzenesulfonyl)-2-phenyl-5-propylsulfanyl-1,3-oxazole is CCCSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-2-phenyl-5-propylsulfanyl-1,3-oxazole?
The InChIKey is UHPBQQWTDLOAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S2/c1-2-13-23-18-17(24(20,21)15-11-7-4-8-12-15)19-16(22-18)14-9-5-3-6-10-14/h3-12H,2,13H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-2-phenyl-5-propylsulfanyl-1,3-oxazole?
4-(benzenesulfonyl)-2-phenyl-5-propylsulfanyl-1,3-oxazole has a molecular weight of 359.47 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-phenyl-5-propylsulfanyl-1,3-oxazole is sourced from PubChem (CID 2156966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).