N-(3-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C18H17N3O3S — CID 1071228

IUPACN-(3-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1cccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)c1
InChIInChI=1S/C18H17N3O3S/c1-12-6-8-13(9-7-12)17-20-21-18(24-17)25-11-16(22)19-14-4-3-5-15(10-14)23-2/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyOBKRGNXZDMQJIJ-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.78
Rot. Bonds6

About N-(3-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(3-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 1071228) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID1071228
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(3-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1cccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)c1
InChIInChI=1S/C18H17N3O3S/c1-12-6-8-13(9-7-12)17-20-21-18(24-17)25-11-16(22)19-14-4-3-5-15(10-14)23-2/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyOBKRGNXZDMQJIJ-UHFFFAOYSA-N
XLogP3.78
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 1071228) is N-(3-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1cccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is OBKRGNXZDMQJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-12-6-8-13(9-7-12)17-20-21-18(24-17)25-11-16(22)19-14-4-3-5-15(10-14)23-2/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of N-(3-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(3-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 355.42 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 1071228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).