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

C18H15N5O3S — CID 50755689

IUPAC3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)NCc1noc(-c2cccs2)n1
InChIInChI=1S/C18H15N5O3S/c24-15(19-11-14-20-18(26-22-14)13-7-4-10-27-13)8-9-16-21-17(23-25-16)12-5-2-1-3-6-12/h1-7,10H,8-9,11H2,(H,19,24)
InChIKeyOIKUZTBINPWCJB-UHFFFAOYSA-N
MW381.42 g/mol
LogP3.10
Rot. Bonds7

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

3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide (PubChem CID 50755689) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
PubChem CID50755689
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)NCc1noc(-c2cccs2)n1
InChIInChI=1S/C18H15N5O3S/c24-15(19-11-14-20-18(26-22-14)13-7-4-10-27-13)8-9-16-21-17(23-25-16)12-5-2-1-3-6-12/h1-7,10H,8-9,11H2,(H,19,24)
InChIKeyOIKUZTBINPWCJB-UHFFFAOYSA-N
XLogP3.10
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 50755663
N-[(2-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18105801
3-phenyl-5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole
CID 87033525
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 51219329
N-(4-phenylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9075415
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 29213758
N-[(5-ethylthiophen-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 46466275
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]propanamide
CID 24505024
1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 100682947
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 31110120
N-[(1-phenylcyclobutyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18139474
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide (CID 50755689) is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide is O=C(CCc1nc(-c2ccccc2)no1)NCc1noc(-c2cccs2)n1.
What is the InChIKey of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The InChIKey is OIKUZTBINPWCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S/c24-15(19-11-14-20-18(26-22-14)13-7-4-10-27-13)8-9-16-21-17(23-25-16)12-5-2-1-3-6-12/h1-7,10H,8-9,11H2,(H,19,24).
What are the key properties of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide has a molecular weight of 381.42 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide is sourced from PubChem (CID 50755689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).