[4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(furan-2-yl)methanone

C20H13NO5S — CID 4148402

IUPAC[4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1noc(-c2ccccc2)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H13NO5S/c22-18(16-12-7-13-25-16)17-20(27(23,24)15-10-5-2-6-11-15)19(26-21-17)14-8-3-1-4-9-14/h1-13H
InChIKeySQSWBPCBJHEDAW-UHFFFAOYSA-N
MW379.39 g/mol
LogP4.00
Rot. Bonds5

About [4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(furan-2-yl)methanone

[4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(furan-2-yl)methanone (PubChem CID 4148402) has the molecular formula C20H13NO5S and a molecular weight of 379.39 g/mol. Its IUPAC name is [4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(furan-2-yl)methanone
PubChem CID4148402
Molecular FormulaC20H13NO5S
Molecular Weight379.39 g/mol
Exact Mass379.05
IUPAC Name[4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1noc(-c2ccccc2)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H13NO5S/c22-18(16-12-7-13-25-16)17-20(27(23,24)15-10-5-2-6-11-15)19(26-21-17)14-8-3-1-4-9-14/h1-13H
InChIKeySQSWBPCBJHEDAW-UHFFFAOYSA-N
XLogP4.00
TPSA90.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(furan-2-yl)methanone (CID 4148402) is [4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(furan-2-yl)methanone is O=C(c1ccco1)c1noc(-c2ccccc2)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of [4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(furan-2-yl)methanone?
The InChIKey is SQSWBPCBJHEDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO5S/c22-18(16-12-7-13-25-16)17-20(27(23,24)15-10-5-2-6-11-15)19(26-21-17)14-8-3-1-4-9-14/h1-13H.
What are the key properties of [4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(furan-2-yl)methanone?
[4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(furan-2-yl)methanone has a molecular weight of 379.39 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 4148402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).