4-(benzenesulfonyl)-N-benzyl-2-(furan-2-yl)-1,3-oxazol-5-amine

C20H16N2O4S — CID 1244674

IUPAC4-(benzenesulfonyl)-N-benzyl-2-(furan-2-yl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1NCc1ccccc1
InChIInChI=1S/C20H16N2O4S/c23-27(24,16-10-5-2-6-11-16)20-19(21-14-15-8-3-1-4-9-15)26-18(22-20)17-12-7-13-25-17/h1-13,21H,14H2
InChIKeyAPNPHLHLCJBKOJ-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.38
Rot. Bonds6

About 4-(benzenesulfonyl)-N-benzyl-2-(furan-2-yl)-1,3-oxazol-5-amine

4-(benzenesulfonyl)-N-benzyl-2-(furan-2-yl)-1,3-oxazol-5-amine (PubChem CID 1244674) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-benzyl-2-(furan-2-yl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-benzyl-2-(furan-2-yl)-1,3-oxazol-5-amine
PubChem CID1244674
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name4-(benzenesulfonyl)-N-benzyl-2-(furan-2-yl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1NCc1ccccc1
InChIInChI=1S/C20H16N2O4S/c23-27(24,16-10-5-2-6-11-16)20-19(21-14-15-8-3-1-4-9-15)26-18(22-20)17-12-7-13-25-17/h1-13,21H,14H2
InChIKeyAPNPHLHLCJBKOJ-UHFFFAOYSA-N
XLogP4.38
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-benzyl-2-(furan-2-yl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-N-benzyl-2-(furan-2-yl)-1,3-oxazol-5-amine (CID 1244674) is 4-(benzenesulfonyl)-N-benzyl-2-(furan-2-yl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-N-benzyl-2-(furan-2-yl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-N-benzyl-2-(furan-2-yl)-1,3-oxazol-5-amine is O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1NCc1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-benzyl-2-(furan-2-yl)-1,3-oxazol-5-amine?
The InChIKey is APNPHLHLCJBKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c23-27(24,16-10-5-2-6-11-16)20-19(21-14-15-8-3-1-4-9-15)26-18(22-20)17-12-7-13-25-17/h1-13,21H,14H2.
What are the key properties of 4-(benzenesulfonyl)-N-benzyl-2-(furan-2-yl)-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-N-benzyl-2-(furan-2-yl)-1,3-oxazol-5-amine has a molecular weight of 380.43 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-benzyl-2-(furan-2-yl)-1,3-oxazol-5-amine is sourced from PubChem (CID 1244674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).