5-phenyl-3-(1-phenylsulfanylethyl)-4,5-dihydro-1,2-oxazole

C17H17NOS — CID 11781039

IUPAC5-phenyl-3-(1-phenylsulfanylethyl)-4,5-dihydro-1,2-oxazole
SMILESCC(Sc1ccccc1)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C17H17NOS/c1-13(20-15-10-6-3-7-11-15)16-12-17(19-18-16)14-8-4-2-5-9-14/h2-11,13,17H,12H2,1H3
InChIKeyNXLHLLCPNMPFIZ-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.68
Rot. Bonds4

About 5-phenyl-3-(1-phenylsulfanylethyl)-4,5-dihydro-1,2-oxazole

5-phenyl-3-(1-phenylsulfanylethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 11781039) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 5-phenyl-3-(1-phenylsulfanylethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-3-(1-phenylsulfanylethyl)-4,5-dihydro-1,2-oxazole
PubChem CID11781039
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name5-phenyl-3-(1-phenylsulfanylethyl)-4,5-dihydro-1,2-oxazole
SMILESCC(Sc1ccccc1)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C17H17NOS/c1-13(20-15-10-6-3-7-11-15)16-12-17(19-18-16)14-8-4-2-5-9-14/h2-11,13,17H,12H2,1H3
InChIKeyNXLHLLCPNMPFIZ-UHFFFAOYSA-N
XLogP4.68
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(1-phenylsulfanylethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-phenyl-3-(1-phenylsulfanylethyl)-4,5-dihydro-1,2-oxazole (CID 11781039) is 5-phenyl-3-(1-phenylsulfanylethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-phenyl-3-(1-phenylsulfanylethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-phenyl-3-(1-phenylsulfanylethyl)-4,5-dihydro-1,2-oxazole is CC(Sc1ccccc1)C1=NOC(c2ccccc2)C1.
What is the InChIKey of 5-phenyl-3-(1-phenylsulfanylethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is NXLHLLCPNMPFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-13(20-15-10-6-3-7-11-15)16-12-17(19-18-16)14-8-4-2-5-9-14/h2-11,13,17H,12H2,1H3.
What are the key properties of 5-phenyl-3-(1-phenylsulfanylethyl)-4,5-dihydro-1,2-oxazole?
5-phenyl-3-(1-phenylsulfanylethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 283.40 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(1-phenylsulfanylethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 11781039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).