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

C12H13N3O3S — CID 2456150

IUPACN-(3-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1cccc(NC(=O)CSc2nnc(C)o2)c1
InChIInChI=1S/C12H13N3O3S/c1-8-14-15-12(18-8)19-7-11(16)13-9-4-3-5-10(6-9)17-2/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyPYYKKYLRABZWMA-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.12
Rot. Bonds5

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

N-(3-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 2456150) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID2456150
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-(3-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1cccc(NC(=O)CSc2nnc(C)o2)c1
InChIInChI=1S/C12H13N3O3S/c1-8-14-15-12(18-8)19-7-11(16)13-9-4-3-5-10(6-9)17-2/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyPYYKKYLRABZWMA-UHFFFAOYSA-N
XLogP2.12
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.12
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-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 2456150) is N-(3-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is COc1cccc(NC(=O)CSc2nnc(C)o2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is PYYKKYLRABZWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-8-14-15-12(18-8)19-7-11(16)13-9-4-3-5-10(6-9)17-2/h3-6H,7H2,1-2H3,(H,13,16).
What are the key properties of N-(3-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(3-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 279.32 g/mol, XLogP of 2.12, 5 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-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2456150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).