2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole

C17H15NOS — CID 12995331

IUPAC2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole
SMILESCc1ccc(Sc2cnc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C17H15NOS/c1-12-3-7-14(8-4-12)17-18-11-16(19-17)20-15-9-5-13(2)6-10-15/h3-11H,1-2H3
InChIKeyWQSWEPSWPQUZOT-UHFFFAOYSA-N
MW281.38 g/mol
LogP5.11
Rot. Bonds3

About 2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole

2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole (PubChem CID 12995331) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole
PubChem CID12995331
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole
SMILESCc1ccc(Sc2cnc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C17H15NOS/c1-12-3-7-14(8-4-12)17-18-11-16(19-17)20-15-9-5-13(2)6-10-15/h3-11H,1-2H3
InChIKeyWQSWEPSWPQUZOT-UHFFFAOYSA-N
XLogP5.11
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.38
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole
CID 12995330
5-(4-methylphenyl)-2-phenyl-1,3-oxazole
CID 3946772
2-[2-(4-methylphenyl)-1,3-oxazol-5-yl]acetic acid
CID 82471717
5-(4-iodophenyl)-2-(4-methylphenyl)-1,3-oxazole
CID 5027296
4-[5-(4-methylphenyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenol
CID 172676237
2-(4-methylphenyl)sulfanyl-5-nitropyridine
CID 2800116
ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 123790982
5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole
CID 171457388
2-(3H-benzimidazol-5-yl)-5-methylsulfanyl-1,3-oxazole
CID 143620068
2-(4-fluorophenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carbonitrile
CID 17012788
2-(4-chlorophenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carbonitrile
CID 118984597
1-[2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-ol
CID 115087326

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole?
The IUPAC name of 2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole (CID 12995331) is 2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole?
The canonical SMILES for 2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole is Cc1ccc(Sc2cnc(-c3ccc(C)cc3)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole?
The InChIKey is WQSWEPSWPQUZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c1-12-3-7-14(8-4-12)17-18-11-16(19-17)20-15-9-5-13(2)6-10-15/h3-11H,1-2H3.
What are the key properties of 2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole?
2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole has a molecular weight of 281.38 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole is sourced from PubChem (CID 12995331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).