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

C15H12ClN3O3S — CID 7254662

IUPAC3-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)Nc1nnc(-c2ccco2)o1
InChIInChI=1S/C15H12ClN3O3S/c16-10-3-5-11(6-4-10)23-9-7-13(20)17-15-19-18-14(22-15)12-2-1-8-21-12/h1-6,8H,7,9H2,(H,17,19,20)
InChIKeyNJJNBIPAYOHIAA-UHFFFAOYSA-N
MW349.80 g/mol
LogP4.10
Rot. Bonds6

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

3-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 7254662) has the molecular formula C15H12ClN3O3S and a molecular weight of 349.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID7254662
Molecular FormulaC15H12ClN3O3S
Molecular Weight349.80 g/mol
Exact Mass349.03
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)Nc1nnc(-c2ccco2)o1
InChIInChI=1S/C15H12ClN3O3S/c16-10-3-5-11(6-4-10)23-9-7-13(20)17-15-19-18-14(22-15)12-2-1-8-21-12/h1-6,8H,7,9H2,(H,17,19,20)
InChIKeyNJJNBIPAYOHIAA-UHFFFAOYSA-N
XLogP4.10
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 54.10
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-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide (CID 7254662) is 3-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide is O=C(CCSc1ccc(Cl)cc1)Nc1nnc(-c2ccco2)o1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is NJJNBIPAYOHIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S/c16-10-3-5-11(6-4-10)23-9-7-13(20)17-15-19-18-14(22-15)12-2-1-8-21-12/h1-6,8H,7,9H2,(H,17,19,20).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 349.80 g/mol, XLogP of 4.10, 6 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-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 7254662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).