(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,4,6-trimethylphenyl)propanamide

C22H28N4O3 — CID 9370983

IUPAC(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCCCN(Cc1nnc(-c2ccco2)o1)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C22H28N4O3/c1-6-9-26(13-19-24-25-22(29-19)18-8-7-10-28-18)17(5)21(27)23-20-15(3)11-14(2)12-16(20)4/h7-8,10-12,17H,6,9,13H2,1-5H3,(H,23,27)/t17-/m0/s1
InChIKeyYVMYQZMREMIASS-KRWDZBQOSA-N
MW396.49 g/mol
LogP4.49
Rot. Bonds8

About (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,4,6-trimethylphenyl)propanamide

(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 9370983) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID9370983
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCCCN(Cc1nnc(-c2ccco2)o1)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C22H28N4O3/c1-6-9-26(13-19-24-25-22(29-19)18-8-7-10-28-18)17(5)21(27)23-20-15(3)11-14(2)12-16(20)4/h7-8,10-12,17H,6,9,13H2,1-5H3,(H,23,27)/t17-/m0/s1
InChIKeyYVMYQZMREMIASS-KRWDZBQOSA-N
XLogP4.49
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371354
(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8689269
(2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-1-(1H-indol-3-yl)propan-1-one
CID 8689342
(2R)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-2-phenylacetamide
CID 8689304
N-[1-(2-bromophenyl)ethyl]-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 60505670
3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51110436
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 9370633
N-(4-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371601
ethyl 4-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]benzoate
CID 9371489
N-(2,5-difluorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371766
N-(3,4-dimethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371528
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(propylcarbamoyl)acetamide
CID 9370842

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,4,6-trimethylphenyl)propanamide (CID 9370983) is (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,4,6-trimethylphenyl)propanamide is CCCN(Cc1nnc(-c2ccco2)o1)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is YVMYQZMREMIASS-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-6-9-26(13-19-24-25-22(29-19)18-8-7-10-28-18)17(5)21(27)23-20-15(3)11-14(2)12-16(20)4/h7-8,10-12,17H,6,9,13H2,1-5H3,(H,23,27)/t17-/m0/s1.
What are the key properties of (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,4,6-trimethylphenyl)propanamide?
(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 396.49 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 9370983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).