3,5-bis(4-chlorophenyl)-4-(4,5-dihydro-1,3-oxazol-2-ylmethylsulfonyl)-1,2-oxazole

C19H14Cl2N2O4S — CID 56641107

IUPAC3,5-bis(4-chlorophenyl)-4-(4,5-dihydro-1,3-oxazol-2-ylmethylsulfonyl)-1,2-oxazole
SMILESO=S(=O)(CC1=NCCO1)c1c(-c2ccc(Cl)cc2)noc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2N2O4S/c20-14-5-1-12(2-6-14)17-19(28(24,25)11-16-22-9-10-26-16)18(27-23-17)13-3-7-15(21)8-4-13/h1-8H,9-11H2
InChIKeyGRDUYFHDZLSUOJ-UHFFFAOYSA-N
MW437.30 g/mol
LogP4.52
Rot. Bonds5

About 3,5-bis(4-chlorophenyl)-4-(4,5-dihydro-1,3-oxazol-2-ylmethylsulfonyl)-1,2-oxazole

3,5-bis(4-chlorophenyl)-4-(4,5-dihydro-1,3-oxazol-2-ylmethylsulfonyl)-1,2-oxazole (PubChem CID 56641107) has the molecular formula C19H14Cl2N2O4S and a molecular weight of 437.30 g/mol. Its IUPAC name is 3,5-bis(4-chlorophenyl)-4-(4,5-dihydro-1,3-oxazol-2-ylmethylsulfonyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-bis(4-chlorophenyl)-4-(4,5-dihydro-1,3-oxazol-2-ylmethylsulfonyl)-1,2-oxazole
PubChem CID56641107
Molecular FormulaC19H14Cl2N2O4S
Molecular Weight437.30 g/mol
Exact Mass436.01
IUPAC Name3,5-bis(4-chlorophenyl)-4-(4,5-dihydro-1,3-oxazol-2-ylmethylsulfonyl)-1,2-oxazole
SMILESO=S(=O)(CC1=NCCO1)c1c(-c2ccc(Cl)cc2)noc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2N2O4S/c20-14-5-1-12(2-6-14)17-19(28(24,25)11-16-22-9-10-26-16)18(27-23-17)13-3-7-15(21)8-4-13/h1-8H,9-11H2
InChIKeyGRDUYFHDZLSUOJ-UHFFFAOYSA-N
XLogP4.52
TPSA81.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.30
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-chlorophenyl)-4-(4,5-dihydro-1,3-oxazol-2-ylmethylsulfonyl)-1,2-oxazole?
The IUPAC name of 3,5-bis(4-chlorophenyl)-4-(4,5-dihydro-1,3-oxazol-2-ylmethylsulfonyl)-1,2-oxazole (CID 56641107) is 3,5-bis(4-chlorophenyl)-4-(4,5-dihydro-1,3-oxazol-2-ylmethylsulfonyl)-1,2-oxazole.
What is the SMILES notation for 3,5-bis(4-chlorophenyl)-4-(4,5-dihydro-1,3-oxazol-2-ylmethylsulfonyl)-1,2-oxazole?
The canonical SMILES for 3,5-bis(4-chlorophenyl)-4-(4,5-dihydro-1,3-oxazol-2-ylmethylsulfonyl)-1,2-oxazole is O=S(=O)(CC1=NCCO1)c1c(-c2ccc(Cl)cc2)noc1-c1ccc(Cl)cc1.
What is the InChIKey of 3,5-bis(4-chlorophenyl)-4-(4,5-dihydro-1,3-oxazol-2-ylmethylsulfonyl)-1,2-oxazole?
The InChIKey is GRDUYFHDZLSUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O4S/c20-14-5-1-12(2-6-14)17-19(28(24,25)11-16-22-9-10-26-16)18(27-23-17)13-3-7-15(21)8-4-13/h1-8H,9-11H2.
What are the key properties of 3,5-bis(4-chlorophenyl)-4-(4,5-dihydro-1,3-oxazol-2-ylmethylsulfonyl)-1,2-oxazole?
3,5-bis(4-chlorophenyl)-4-(4,5-dihydro-1,3-oxazol-2-ylmethylsulfonyl)-1,2-oxazole has a molecular weight of 437.30 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-chlorophenyl)-4-(4,5-dihydro-1,3-oxazol-2-ylmethylsulfonyl)-1,2-oxazole is sourced from PubChem (CID 56641107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).