4-(benzenesulfonyl)-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine

C23H20N2O3S — CID 2964757

IUPAC4-(benzenesulfonyl)-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine
SMILESCC(Nc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N2O3S/c1-17(18-11-5-2-6-12-18)24-22-23(29(26,27)20-15-9-4-10-16-20)25-21(28-22)19-13-7-3-8-14-19/h2-17,24H,1H3
InChIKeyKEPPEJXJGULBPD-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.35
Rot. Bonds6

About 4-(benzenesulfonyl)-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine

4-(benzenesulfonyl)-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine (PubChem CID 2964757) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine
PubChem CID2964757
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC Name4-(benzenesulfonyl)-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine
SMILESCC(Nc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N2O3S/c1-17(18-11-5-2-6-12-18)24-22-23(29(26,27)20-15-9-4-10-16-20)25-21(28-22)19-13-7-3-8-14-19/h2-17,24H,1H3
InChIKeyKEPPEJXJGULBPD-UHFFFAOYSA-N
XLogP5.35
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine (CID 2964757) is 4-(benzenesulfonyl)-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine is CC(Nc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine?
The InChIKey is KEPPEJXJGULBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-17(18-11-5-2-6-12-18)24-22-23(29(26,27)20-15-9-4-10-16-20)25-21(28-22)19-13-7-3-8-14-19/h2-17,24H,1H3.
What are the key properties of 4-(benzenesulfonyl)-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine has a molecular weight of 404.49 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 2964757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).