methyl-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]imino-oxo-phenyl-λ6-sulfane

C17H16N2O2S — CID 159333660

IUPACmethyl-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]imino-oxo-phenyl-λ6-sulfane
SMILESCc1cc(-c2ccc(N=S(C)(=O)c3ccccc3)cc2)no1
InChIInChI=1S/C17H16N2O2S/c1-13-12-17(18-21-13)14-8-10-15(11-9-14)19-22(2,20)16-6-4-3-5-7-16/h3-12H,1-2H3
InChIKeyLFGHXFMNTAWVAD-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.44
Rot. Bonds3

About methyl-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]imino-oxo-phenyl-λ6-sulfane

methyl-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]imino-oxo-phenyl-λ6-sulfane (PubChem CID 159333660) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is methyl-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]imino-oxo-phenyl-λ6-sulfane.

Molecular Properties

Compound Namemethyl-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]imino-oxo-phenyl-λ6-sulfane
PubChem CID159333660
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Namemethyl-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]imino-oxo-phenyl-λ6-sulfane
SMILESCc1cc(-c2ccc(N=S(C)(=O)c3ccccc3)cc2)no1
InChIInChI=1S/C17H16N2O2S/c1-13-12-17(18-21-13)14-8-10-15(11-9-14)19-22(2,20)16-6-4-3-5-7-16/h3-12H,1-2H3
InChIKeyLFGHXFMNTAWVAD-UHFFFAOYSA-N
XLogP4.44
TPSA55.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]imino-oxo-phenyl-λ6-sulfane?
The IUPAC name of methyl-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]imino-oxo-phenyl-λ6-sulfane (CID 159333660) is methyl-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]imino-oxo-phenyl-λ6-sulfane.
What is the SMILES notation for methyl-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]imino-oxo-phenyl-λ6-sulfane?
The canonical SMILES for methyl-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]imino-oxo-phenyl-λ6-sulfane is Cc1cc(-c2ccc(N=S(C)(=O)c3ccccc3)cc2)no1.
What is the InChIKey of methyl-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]imino-oxo-phenyl-λ6-sulfane?
The InChIKey is LFGHXFMNTAWVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-13-12-17(18-21-13)14-8-10-15(11-9-14)19-22(2,20)16-6-4-3-5-7-16/h3-12H,1-2H3.
What are the key properties of methyl-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]imino-oxo-phenyl-λ6-sulfane?
methyl-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]imino-oxo-phenyl-λ6-sulfane has a molecular weight of 312.39 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]imino-oxo-phenyl-λ6-sulfane is sourced from PubChem (CID 159333660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).