(5S)-5-(3-methylphenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole

C23H21NOS — CID 164668254

IUPAC(5S)-5-(3-methylphenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole
SMILESCc1cccc([C@]2(CSc3ccccc3)CC(c3ccccc3)=NO2)c1
InChIInChI=1S/C23H21NOS/c1-18-9-8-12-20(15-18)23(17-26-21-13-6-3-7-14-21)16-22(24-25-23)19-10-4-2-5-11-19/h2-15H,16-17H2,1H3/t23-/m1/s1
InChIKeyMPUKOUNFJLFLDN-HSZRJFAPSA-N
MW359.49 g/mol
LogP5.81
Rot. Bonds5

About (5S)-5-(3-methylphenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole

(5S)-5-(3-methylphenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole (PubChem CID 164668254) has the molecular formula C23H21NOS and a molecular weight of 359.49 g/mol. Its IUPAC name is (5S)-5-(3-methylphenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-(3-methylphenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole
PubChem CID164668254
Molecular FormulaC23H21NOS
Molecular Weight359.49 g/mol
Exact Mass359.13
IUPAC Name(5S)-5-(3-methylphenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole
SMILESCc1cccc([C@]2(CSc3ccccc3)CC(c3ccccc3)=NO2)c1
InChIInChI=1S/C23H21NOS/c1-18-9-8-12-20(15-18)23(17-26-21-13-6-3-7-14-21)16-22(24-25-23)19-10-4-2-5-11-19/h2-15H,16-17H2,1H3/t23-/m1/s1
InChIKeyMPUKOUNFJLFLDN-HSZRJFAPSA-N
XLogP5.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.49
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-methylphenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole?
The IUPAC name of (5S)-5-(3-methylphenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole (CID 164668254) is (5S)-5-(3-methylphenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole.
What is the SMILES notation for (5S)-5-(3-methylphenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole?
The canonical SMILES for (5S)-5-(3-methylphenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole is Cc1cccc([C@]2(CSc3ccccc3)CC(c3ccccc3)=NO2)c1.
What is the InChIKey of (5S)-5-(3-methylphenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole?
The InChIKey is MPUKOUNFJLFLDN-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H21NOS/c1-18-9-8-12-20(15-18)23(17-26-21-13-6-3-7-14-21)16-22(24-25-23)19-10-4-2-5-11-19/h2-15H,16-17H2,1H3/t23-/m1/s1.
What are the key properties of (5S)-5-(3-methylphenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole?
(5S)-5-(3-methylphenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole has a molecular weight of 359.49 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-methylphenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole is sourced from PubChem (CID 164668254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).