2-(4-methoxyphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole

C19H15N3O3S — CID 2562839

IUPAC2-(4-methoxyphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)o2)cc1
InChIInChI=1S/C19H15N3O3S/c1-23-15-9-7-14(8-10-15)18-21-22-19(25-18)26-12-17-20-11-16(24-17)13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyQHOIIZHROWHHLV-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.69
Rot. Bonds6

About 2-(4-methoxyphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole

2-(4-methoxyphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 2562839) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID2562839
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name2-(4-methoxyphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)o2)cc1
InChIInChI=1S/C19H15N3O3S/c1-23-15-9-7-14(8-10-15)18-21-22-19(25-18)26-12-17-20-11-16(24-17)13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyQHOIIZHROWHHLV-UHFFFAOYSA-N
XLogP4.69
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole (CID 2562839) is 2-(4-methoxyphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole is COc1ccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is QHOIIZHROWHHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-23-15-9-7-14(8-10-15)18-21-22-19(25-18)26-12-17-20-11-16(24-17)13-5-3-2-4-6-13/h2-11H,12H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 365.41 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2562839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).