(5-tert-butyl-1,2-oxazol-4-yl)-[2-[(2-methylsulfanylphenyl)methyl]phenyl]methanone

C22H23NO2S — CID 67718052

IUPAC(5-tert-butyl-1,2-oxazol-4-yl)-[2-[(2-methylsulfanylphenyl)methyl]phenyl]methanone
SMILESCSc1ccccc1Cc1ccccc1C(=O)c1cnoc1C(C)(C)C
InChIInChI=1S/C22H23NO2S/c1-22(2,3)21-18(14-23-25-21)20(24)17-11-7-5-9-15(17)13-16-10-6-8-12-19(16)26-4/h5-12,14H,13H2,1-4H3
InChIKeyRPTFJXOLVRRIEA-UHFFFAOYSA-N
MW365.50 g/mol
LogP5.52
Rot. Bonds5

About (5-tert-butyl-1,2-oxazol-4-yl)-[2-[(2-methylsulfanylphenyl)methyl]phenyl]methanone

(5-tert-butyl-1,2-oxazol-4-yl)-[2-[(2-methylsulfanylphenyl)methyl]phenyl]methanone (PubChem CID 67718052) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is (5-tert-butyl-1,2-oxazol-4-yl)-[2-[(2-methylsulfanylphenyl)methyl]phenyl]methanone.

Molecular Properties

Compound Name(5-tert-butyl-1,2-oxazol-4-yl)-[2-[(2-methylsulfanylphenyl)methyl]phenyl]methanone
PubChem CID67718052
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC Name(5-tert-butyl-1,2-oxazol-4-yl)-[2-[(2-methylsulfanylphenyl)methyl]phenyl]methanone
SMILESCSc1ccccc1Cc1ccccc1C(=O)c1cnoc1C(C)(C)C
InChIInChI=1S/C22H23NO2S/c1-22(2,3)21-18(14-23-25-21)20(24)17-11-7-5-9-15(17)13-16-10-6-8-12-19(16)26-4/h5-12,14H,13H2,1-4H3
InChIKeyRPTFJXOLVRRIEA-UHFFFAOYSA-N
XLogP5.52
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(2-methylsulfanylphenyl)methyl]phenyl]methanone
CID 54389085
(5-cyclopropyl-1,2-oxazol-4-yl)-[4-methylsulfanyl-2-[(2-methylsulfanylphenyl)methyl]phenyl]methanone
CID 54226370
(5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(2-fluoro-6-methylsulfanylphenyl)methyl]phenyl]methanone
CID 54564436
1-(5-tert-butyl-1,2-oxazol-4-yl)ethanone
CID 84652672
cyclopropyl-[5-[2-[(2-methyl-3-methylsulfanylphenyl)methyl]phenyl]-1,2-oxazol-4-yl]methanone
CID 57204568
(2-methylsulfanylphenyl)-phenylmethanone
CID 14145188
[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone
CID 24725530
[2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone
CID 24725303
N-tert-butyl-2-methylsulfanylbenzamide
CID 967733
2-methyl-1-(2-methylsulfanylphenyl)propan-1-one
CID 19361702
2,5-bis(2-methylsulfanylbenzoyl)terephthalic acid
CID 23586491
2-methylsulfanylbenzoate
CID 6932478

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,2-oxazol-4-yl)-[2-[(2-methylsulfanylphenyl)methyl]phenyl]methanone?
The IUPAC name of (5-tert-butyl-1,2-oxazol-4-yl)-[2-[(2-methylsulfanylphenyl)methyl]phenyl]methanone (CID 67718052) is (5-tert-butyl-1,2-oxazol-4-yl)-[2-[(2-methylsulfanylphenyl)methyl]phenyl]methanone.
What is the SMILES notation for (5-tert-butyl-1,2-oxazol-4-yl)-[2-[(2-methylsulfanylphenyl)methyl]phenyl]methanone?
The canonical SMILES for (5-tert-butyl-1,2-oxazol-4-yl)-[2-[(2-methylsulfanylphenyl)methyl]phenyl]methanone is CSc1ccccc1Cc1ccccc1C(=O)c1cnoc1C(C)(C)C.
What is the InChIKey of (5-tert-butyl-1,2-oxazol-4-yl)-[2-[(2-methylsulfanylphenyl)methyl]phenyl]methanone?
The InChIKey is RPTFJXOLVRRIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-22(2,3)21-18(14-23-25-21)20(24)17-11-7-5-9-15(17)13-16-10-6-8-12-19(16)26-4/h5-12,14H,13H2,1-4H3.
What are the key properties of (5-tert-butyl-1,2-oxazol-4-yl)-[2-[(2-methylsulfanylphenyl)methyl]phenyl]methanone?
(5-tert-butyl-1,2-oxazol-4-yl)-[2-[(2-methylsulfanylphenyl)methyl]phenyl]methanone has a molecular weight of 365.50 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,2-oxazol-4-yl)-[2-[(2-methylsulfanylphenyl)methyl]phenyl]methanone is sourced from PubChem (CID 67718052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).