5-(furan-2-yl)-3-phenyl-4-(trifluoromethylsulfonyl)-1,2-oxazole

C14H8F3NO4S — CID 57381481

IUPAC5-(furan-2-yl)-3-phenyl-4-(trifluoromethylsulfonyl)-1,2-oxazole
SMILESO=S(=O)(c1c(-c2ccccc2)noc1-c1ccco1)C(F)(F)F
InChIInChI=1S/C14H8F3NO4S/c15-14(16,17)23(19,20)13-11(9-5-2-1-3-6-9)18-22-12(13)10-7-4-8-21-10/h1-8H
InChIKeyYRPIZJUXPWOVKC-UHFFFAOYSA-N
MW343.28 g/mol
LogP3.90
Rot. Bonds3

About 5-(furan-2-yl)-3-phenyl-4-(trifluoromethylsulfonyl)-1,2-oxazole

5-(furan-2-yl)-3-phenyl-4-(trifluoromethylsulfonyl)-1,2-oxazole (PubChem CID 57381481) has the molecular formula C14H8F3NO4S and a molecular weight of 343.28 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-phenyl-4-(trifluoromethylsulfonyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-phenyl-4-(trifluoromethylsulfonyl)-1,2-oxazole
PubChem CID57381481
Molecular FormulaC14H8F3NO4S
Molecular Weight343.28 g/mol
Exact Mass343.01
IUPAC Name5-(furan-2-yl)-3-phenyl-4-(trifluoromethylsulfonyl)-1,2-oxazole
SMILESO=S(=O)(c1c(-c2ccccc2)noc1-c1ccco1)C(F)(F)F
InChIInChI=1S/C14H8F3NO4S/c15-14(16,17)23(19,20)13-11(9-5-2-1-3-6-9)18-22-12(13)10-7-4-8-21-10/h1-8H
InChIKeyYRPIZJUXPWOVKC-UHFFFAOYSA-N
XLogP3.90
TPSA73.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-phenyl-4-(trifluoromethylsulfonyl)-1,2-oxazole?
The IUPAC name of 5-(furan-2-yl)-3-phenyl-4-(trifluoromethylsulfonyl)-1,2-oxazole (CID 57381481) is 5-(furan-2-yl)-3-phenyl-4-(trifluoromethylsulfonyl)-1,2-oxazole.
What is the SMILES notation for 5-(furan-2-yl)-3-phenyl-4-(trifluoromethylsulfonyl)-1,2-oxazole?
The canonical SMILES for 5-(furan-2-yl)-3-phenyl-4-(trifluoromethylsulfonyl)-1,2-oxazole is O=S(=O)(c1c(-c2ccccc2)noc1-c1ccco1)C(F)(F)F.
What is the InChIKey of 5-(furan-2-yl)-3-phenyl-4-(trifluoromethylsulfonyl)-1,2-oxazole?
The InChIKey is YRPIZJUXPWOVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO4S/c15-14(16,17)23(19,20)13-11(9-5-2-1-3-6-9)18-22-12(13)10-7-4-8-21-10/h1-8H.
What are the key properties of 5-(furan-2-yl)-3-phenyl-4-(trifluoromethylsulfonyl)-1,2-oxazole?
5-(furan-2-yl)-3-phenyl-4-(trifluoromethylsulfonyl)-1,2-oxazole has a molecular weight of 343.28 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-phenyl-4-(trifluoromethylsulfonyl)-1,2-oxazole is sourced from PubChem (CID 57381481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).