2-[2-(4-methylphenyl)sulfinylphenyl]-4-phenyl-4,5-dihydro-1,3-oxazole

C22H19NO2S — CID 154727025

IUPAC2-[2-(4-methylphenyl)sulfinylphenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(S(=O)c2ccccc2C2=NC(c3ccccc3)CO2)cc1
InChIInChI=1S/C22H19NO2S/c1-16-11-13-18(14-12-16)26(24)21-10-6-5-9-19(21)22-23-20(15-25-22)17-7-3-2-4-8-17/h2-14,20H,15H2,1H3
InChIKeyDAFPBDIGMMUDMU-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.68
Rot. Bonds4

About 2-[2-(4-methylphenyl)sulfinylphenyl]-4-phenyl-4,5-dihydro-1,3-oxazole

2-[2-(4-methylphenyl)sulfinylphenyl]-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 154727025) has the molecular formula C22H19NO2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)sulfinylphenyl]-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)sulfinylphenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID154727025
Molecular FormulaC22H19NO2S
Molecular Weight361.47 g/mol
Exact Mass361.11
IUPAC Name2-[2-(4-methylphenyl)sulfinylphenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(S(=O)c2ccccc2C2=NC(c3ccccc3)CO2)cc1
InChIInChI=1S/C22H19NO2S/c1-16-11-13-18(14-12-16)26(24)21-10-6-5-9-19(21)22-23-20(15-25-22)17-7-3-2-4-8-17/h2-14,20H,15H2,1H3
InChIKeyDAFPBDIGMMUDMU-UHFFFAOYSA-N
XLogP4.68
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(R)-(4-methylphenyl)sulfinyl]-5-(trifluoromethyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 138551067
(4S)-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]-4-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 138550864
(4S)-4-tert-butyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 138551003
(4R)-4-tert-butyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 138551066
(4S)-4-(3,4,5-trimethoxyphenyl)-2-[2-[(S)-[4-(2,4,6-trimethylphenyl)phenyl]sulfinyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 138550999
(4S)-2-[2-(4-methylphenyl)sulfinylpropan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 101265562
(4S)-2-[2-(4-tert-butylphenyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 138551056
1-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]benzene
CID 102101536
4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one
CID 149432517
2-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,3-oxazole
CID 127263038
methanidylbenzene;2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenol;titanium(3+)
CID 168819349
4-(4-methylphenyl)-2-[3-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 67533219

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)sulfinylphenyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[2-(4-methylphenyl)sulfinylphenyl]-4-phenyl-4,5-dihydro-1,3-oxazole (CID 154727025) is 2-[2-(4-methylphenyl)sulfinylphenyl]-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[2-(4-methylphenyl)sulfinylphenyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[2-(4-methylphenyl)sulfinylphenyl]-4-phenyl-4,5-dihydro-1,3-oxazole is Cc1ccc(S(=O)c2ccccc2C2=NC(c3ccccc3)CO2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)sulfinylphenyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is DAFPBDIGMMUDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2S/c1-16-11-13-18(14-12-16)26(24)21-10-6-5-9-19(21)22-23-20(15-25-22)17-7-3-2-4-8-17/h2-14,20H,15H2,1H3.
What are the key properties of 2-[2-(4-methylphenyl)sulfinylphenyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
2-[2-(4-methylphenyl)sulfinylphenyl]-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 361.47 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 2-[2-(4-methylphenyl)sulfinylphenyl]-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 154727025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).