3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide

C22H20N4O2S — CID 25386042

IUPAC3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESO=C(CCc1nnc(-c2ccccc2)o1)NCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C22H20N4O2S/c27-19(11-12-20-25-26-22(28-20)17-9-5-2-6-10-17)23-14-13-21-24-18(15-29-21)16-7-3-1-4-8-16/h1-10,15H,11-14H2,(H,23,27)
InChIKeyYLVISABIXIKLNL-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.15
Rot. Bonds8

About 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide (PubChem CID 25386042) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
PubChem CID25386042
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESO=C(CCc1nnc(-c2ccccc2)o1)NCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C22H20N4O2S/c27-19(11-12-20-25-26-22(28-20)17-9-5-2-6-10-17)23-14-13-21-24-18(15-29-21)16-7-3-1-4-8-16/h1-10,15H,11-14H2,(H,23,27)
InChIKeyYLVISABIXIKLNL-UHFFFAOYSA-N
XLogP4.15
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
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N-[2-(4-chlorophenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
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N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pentanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide (CID 25386042) is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide is O=C(CCc1nnc(-c2ccccc2)o1)NCCc1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide?
The InChIKey is YLVISABIXIKLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c27-19(11-12-20-25-26-22(28-20)17-9-5-2-6-10-17)23-14-13-21-24-18(15-29-21)16-7-3-1-4-8-16/h1-10,15H,11-14H2,(H,23,27).
What are the key properties of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide?
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide has a molecular weight of 404.50 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 25386042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).