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

C18H16ClN3O3S — CID 52904189

IUPAC3-(4-chlorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)Nc1nnc(COc2ccccc2)o1
InChIInChI=1S/C18H16ClN3O3S/c19-13-6-8-15(9-7-13)26-11-10-16(23)20-18-22-21-17(25-18)12-24-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,20,22,23)
InChIKeyUUPFHASBOUYAEA-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.42
Rot. Bonds8

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

3-(4-chlorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 52904189) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID52904189
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)Nc1nnc(COc2ccccc2)o1
InChIInChI=1S/C18H16ClN3O3S/c19-13-6-8-15(9-7-13)26-11-10-16(23)20-18-22-21-17(25-18)12-24-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,20,22,23)
InChIKeyUUPFHASBOUYAEA-UHFFFAOYSA-N
XLogP4.42
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 52904189) is 3-(4-chlorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide is O=C(CCSc1ccc(Cl)cc1)Nc1nnc(COc2ccccc2)o1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is UUPFHASBOUYAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c19-13-6-8-15(9-7-13)26-11-10-16(23)20-18-22-21-17(25-18)12-24-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,20,22,23).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 389.86 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 52904189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).