3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]propanamide

C21H25N3O3S — CID 25373985

IUPAC3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]propanamide
SMILESCOc1cccc(CCc2nnc(CCC(=O)N[C@@H](C)Cc3cccs3)o2)c1
InChIInChI=1S/C21H25N3O3S/c1-15(13-18-7-4-12-28-18)22-19(25)9-11-21-24-23-20(27-21)10-8-16-5-3-6-17(14-16)26-2/h3-7,12,14-15H,8-11,13H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyIMIVGPXPALBVDZ-HNNXBMFYSA-N
MW399.52 g/mol
LogP3.60
Rot. Bonds10

About 3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]propanamide

3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]propanamide (PubChem CID 25373985) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]propanamide.

Molecular Properties

Compound Name3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]propanamide
PubChem CID25373985
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]propanamide
SMILESCOc1cccc(CCc2nnc(CCC(=O)N[C@@H](C)Cc3cccs3)o2)c1
InChIInChI=1S/C21H25N3O3S/c1-15(13-18-7-4-12-28-18)22-19(25)9-11-21-24-23-20(27-21)10-8-16-5-3-6-17(14-16)26-2/h3-7,12,14-15H,8-11,13H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyIMIVGPXPALBVDZ-HNNXBMFYSA-N
XLogP3.60
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyphenyl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 51895007
3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(2-methylsulfanylethyl)propanamide
CID 42344834
N-butan-2-yl-3-(3-methoxyphenyl)propanamide
CID 60707029
N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110295233
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
N-[2-(3-methoxyphenyl)ethyl]-3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 25386620
3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 82110960
4-[3-[1-(3-methoxyphenyl)propan-2-ylamino]-3-oxopropyl]benzoic acid
CID 119185222
3-(3-methoxyphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 110368336
3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[2-[(2S)-oxan-2-yl]ethyl]propanamide
CID 42392793
N-[4-[2-[1-(3-methoxyphenyl)propan-2-ylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 86941785

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]propanamide?
The IUPAC name of 3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]propanamide (CID 25373985) is 3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]propanamide.
What is the SMILES notation for 3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]propanamide?
The canonical SMILES for 3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]propanamide is COc1cccc(CCc2nnc(CCC(=O)N[C@@H](C)Cc3cccs3)o2)c1.
What is the InChIKey of 3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]propanamide?
The InChIKey is IMIVGPXPALBVDZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-15(13-18-7-4-12-28-18)22-19(25)9-11-21-24-23-20(27-21)10-8-16-5-3-6-17(14-16)26-2/h3-7,12,14-15H,8-11,13H2,1-2H3,(H,22,25)/t15-/m0/s1.
What are the key properties of 3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]propanamide?
3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]propanamide has a molecular weight of 399.52 g/mol, XLogP of 3.60, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]propanamide is sourced from PubChem (CID 25373985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).