(2-chlorophenyl)-[3-methyl-4-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanone

C23H24ClN3O4S — CID 146019947

IUPAC(2-chlorophenyl)-[3-methyl-4-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanone
SMILESCc1cc(C(=O)c2ccccc2Cl)ccc1OCc1nnc(SCCN2CCOCC2)o1
InChIInChI=1S/C23H24ClN3O4S/c1-16-14-17(22(28)18-4-2-3-5-19(18)24)6-7-20(16)30-15-21-25-26-23(31-21)32-13-10-27-8-11-29-12-9-27/h2-7,14H,8-13,15H2,1H3
InChIKeyXHZLQTXHPDDQIL-UHFFFAOYSA-N
MW473.98 g/mol
LogP4.27
Rot. Bonds9

About (2-chlorophenyl)-[3-methyl-4-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanone

(2-chlorophenyl)-[3-methyl-4-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanone (PubChem CID 146019947) has the molecular formula C23H24ClN3O4S and a molecular weight of 473.98 g/mol. Its IUPAC name is (2-chlorophenyl)-[3-methyl-4-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[3-methyl-4-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanone
PubChem CID146019947
Molecular FormulaC23H24ClN3O4S
Molecular Weight473.98 g/mol
Exact Mass473.12
IUPAC Name(2-chlorophenyl)-[3-methyl-4-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanone
SMILESCc1cc(C(=O)c2ccccc2Cl)ccc1OCc1nnc(SCCN2CCOCC2)o1
InChIInChI=1S/C23H24ClN3O4S/c1-16-14-17(22(28)18-4-2-3-5-19(18)24)6-7-20(16)30-15-21-25-26-23(31-21)32-13-10-27-8-11-29-12-9-27/h2-7,14H,8-13,15H2,1H3
InChIKeyXHZLQTXHPDDQIL-UHFFFAOYSA-N
XLogP4.27
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.98
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[3-methyl-4-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanone?
The IUPAC name of (2-chlorophenyl)-[3-methyl-4-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanone (CID 146019947) is (2-chlorophenyl)-[3-methyl-4-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[3-methyl-4-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanone?
The canonical SMILES for (2-chlorophenyl)-[3-methyl-4-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanone is Cc1cc(C(=O)c2ccccc2Cl)ccc1OCc1nnc(SCCN2CCOCC2)o1.
What is the InChIKey of (2-chlorophenyl)-[3-methyl-4-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanone?
The InChIKey is XHZLQTXHPDDQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4S/c1-16-14-17(22(28)18-4-2-3-5-19(18)24)6-7-20(16)30-15-21-25-26-23(31-21)32-13-10-27-8-11-29-12-9-27/h2-7,14H,8-13,15H2,1H3.
What are the key properties of (2-chlorophenyl)-[3-methyl-4-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanone?
(2-chlorophenyl)-[3-methyl-4-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanone has a molecular weight of 473.98 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[3-methyl-4-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanone is sourced from PubChem (CID 146019947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).