(3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone

C15H16N2O2S — CID 122329180

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCSC1c1ccccc1
InChIInChI=1S/C15H16N2O2S/c1-10-13(11(2)19-16-10)14(18)17-8-9-20-15(17)12-6-4-3-5-7-12/h3-7,15H,8-9H2,1-2H3
InChIKeyVMQWCHLYPMOZOL-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.18
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone (PubChem CID 122329180) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone
PubChem CID122329180
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCSC1c1ccccc1
InChIInChI=1S/C15H16N2O2S/c1-10-13(11(2)19-16-10)14(18)17-8-9-20-15(17)12-6-4-3-5-7-12/h3-7,15H,8-9H2,1-2H3
InChIKeyVMQWCHLYPMOZOL-UHFFFAOYSA-N
XLogP3.18
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone (CID 122329180) is (3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone is Cc1noc(C)c1C(=O)N1CCSC1c1ccccc1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone?
The InChIKey is VMQWCHLYPMOZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-13(11(2)19-16-10)14(18)17-8-9-20-15(17)12-6-4-3-5-7-12/h3-7,15H,8-9H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone has a molecular weight of 288.37 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 122329180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).