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

C13H15N3O3S — CID 4209742

IUPACN-(3-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCOc1cccc(NC(=O)CCSc2nnc(C)o2)c1
InChIInChI=1S/C13H15N3O3S/c1-9-15-16-13(19-9)20-7-6-12(17)14-10-4-3-5-11(8-10)18-2/h3-5,8H,6-7H2,1-2H3,(H,14,17)
InChIKeyAGDPTQLDVQCXRK-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.51
Rot. Bonds6

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

N-(3-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 4209742) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
PubChem CID4209742
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-(3-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCOc1cccc(NC(=O)CCSc2nnc(C)o2)c1
InChIInChI=1S/C13H15N3O3S/c1-9-15-16-13(19-9)20-7-6-12(17)14-10-4-3-5-11(8-10)18-2/h3-5,8H,6-7H2,1-2H3,(H,14,17)
InChIKeyAGDPTQLDVQCXRK-UHFFFAOYSA-N
XLogP2.51
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(3-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 4209742) is N-(3-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is COc1cccc(NC(=O)CCSc2nnc(C)o2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is AGDPTQLDVQCXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-9-15-16-13(19-9)20-7-6-12(17)14-10-4-3-5-11(8-10)18-2/h3-5,8H,6-7H2,1-2H3,(H,14,17).
What are the key properties of N-(3-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
N-(3-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 293.35 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 4209742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).