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

C20H13NO5S — CID 5228759

IUPAC[4-(benzenesulfonyl)-5-(furan-2-yl)-1,2-oxazol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1noc(-c2ccco2)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H13NO5S/c22-18(14-8-3-1-4-9-14)17-20(19(26-21-17)16-12-7-13-25-16)27(23,24)15-10-5-2-6-11-15/h1-13H
InChIKeyZUPILWNLQNELCA-UHFFFAOYSA-N
MW379.39 g/mol
LogP4.00
Rot. Bonds5

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

[4-(benzenesulfonyl)-5-(furan-2-yl)-1,2-oxazol-3-yl]-phenylmethanone (PubChem CID 5228759) has the molecular formula C20H13NO5S and a molecular weight of 379.39 g/mol. Its IUPAC name is [4-(benzenesulfonyl)-5-(furan-2-yl)-1,2-oxazol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)-5-(furan-2-yl)-1,2-oxazol-3-yl]-phenylmethanone
PubChem CID5228759
Molecular FormulaC20H13NO5S
Molecular Weight379.39 g/mol
Exact Mass379.05
IUPAC Name[4-(benzenesulfonyl)-5-(furan-2-yl)-1,2-oxazol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1noc(-c2ccco2)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H13NO5S/c22-18(14-8-3-1-4-9-14)17-20(19(26-21-17)16-12-7-13-25-16)27(23,24)15-10-5-2-6-11-15/h1-13H
InChIKeyZUPILWNLQNELCA-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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Related Compounds

5-(3,4-Dimethyl-5-isoxazolyl)-2-furansulfonyl chloride
CID 53212018
(5-(Furan-2-yl)isoxazol-3-yl)methyl 2-(4-(isopropylsulfonyl)phenyl)acetate
CID 45497917
5-(2-Furyl)-3-phenyl-4-(trifluoromethylsulfonyl)isoxazole
CID 57381481
2-Furyl 5-phenyl-4-(phenylsulfonyl)isoxazol-3-yl ketone
CID 4148402
4-Benzenesulfonyl-3-(2'-furoyl)-5-furylisoxazole
CID 129825950
3-[4,4-Bis(4-fluorophenyl)butylsulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole
CID 40126766
[5-(Furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(difluoromethylsulfonyl)benzoate
CID 45513867
[5-(Furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(benzenesulfonyl)propanoate
CID 8413576
5-(Furan-2-yl)-3-[(2-phenoxyphenyl)methylsulfinylmethyl]-1,2-oxazole
CID 42891183
(5-(Benzofuran-2-yl)isoxazol-3-yl)methyl 3-(phenylsulfonyl)propanoate
CID 45497919
5-(4-Methoxyphenyl)-4-(phenylsulfonyl)isoxazol-3-yl 4-methylphenyl ketone
CID 2753580
4-Methoxyphenyl 5-phenyl-4-(phenylsulfonyl)isoxazol-3-yl ketone
CID 2753581

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)-5-(furan-2-yl)-1,2-oxazol-3-yl]-phenylmethanone?
The IUPAC name of [4-(benzenesulfonyl)-5-(furan-2-yl)-1,2-oxazol-3-yl]-phenylmethanone (CID 5228759) is [4-(benzenesulfonyl)-5-(furan-2-yl)-1,2-oxazol-3-yl]-phenylmethanone.
What is the SMILES notation for [4-(benzenesulfonyl)-5-(furan-2-yl)-1,2-oxazol-3-yl]-phenylmethanone?
The canonical SMILES for [4-(benzenesulfonyl)-5-(furan-2-yl)-1,2-oxazol-3-yl]-phenylmethanone is O=C(c1ccccc1)c1noc(-c2ccco2)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of [4-(benzenesulfonyl)-5-(furan-2-yl)-1,2-oxazol-3-yl]-phenylmethanone?
The InChIKey is ZUPILWNLQNELCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO5S/c22-18(14-8-3-1-4-9-14)17-20(19(26-21-17)16-12-7-13-25-16)27(23,24)15-10-5-2-6-11-15/h1-13H.
What are the key properties of [4-(benzenesulfonyl)-5-(furan-2-yl)-1,2-oxazol-3-yl]-phenylmethanone?
[4-(benzenesulfonyl)-5-(furan-2-yl)-1,2-oxazol-3-yl]-phenylmethanone 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-(furan-2-yl)-1,2-oxazol-3-yl]-phenylmethanone is sourced from PubChem (CID 5228759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).