(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(methylcarbamoyl)-2-phenylacetamide

C20H23N5O4 — CID 8689269

IUPAC(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCCCN(Cc1nnc(-c2ccco2)o1)[C@H](C(=O)NC(=O)NC)c1ccccc1
InChIInChI=1S/C20H23N5O4/c1-3-11-25(13-16-23-24-19(29-16)15-10-7-12-28-15)17(14-8-5-4-6-9-14)18(26)22-20(27)21-2/h4-10,12,17H,3,11,13H2,1-2H3,(H2,21,22,26,27)/t17-/m0/s1
InChIKeyHWUXEMGWFSOSSF-KRWDZBQOSA-N
MW397.44 g/mol
LogP2.74
Rot. Bonds8

About (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(methylcarbamoyl)-2-phenylacetamide

(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(methylcarbamoyl)-2-phenylacetamide (PubChem CID 8689269) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(methylcarbamoyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(methylcarbamoyl)-2-phenylacetamide
PubChem CID8689269
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCCCN(Cc1nnc(-c2ccco2)o1)[C@H](C(=O)NC(=O)NC)c1ccccc1
InChIInChI=1S/C20H23N5O4/c1-3-11-25(13-16-23-24-19(29-16)15-10-7-12-28-15)17(14-8-5-4-6-9-14)18(26)22-20(27)21-2/h4-10,12,17H,3,11,13H2,1-2H3,(H2,21,22,26,27)/t17-/m0/s1
InChIKeyHWUXEMGWFSOSSF-KRWDZBQOSA-N
XLogP2.74
TPSA113.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(methylcarbamoyl)-2-phenylacetamide with MolForge

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Related Compounds

(2R)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-2-phenylacetamide
CID 8689304
(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,4,6-trimethylphenyl)propanamide
CID 9370983
N-[1-(2-bromophenyl)ethyl]-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 60505670
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(propylcarbamoyl)acetamide
CID 9370842
(2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-1-(1H-indol-3-yl)propan-1-one
CID 8689342
4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]butanoic acid
CID 55005935
N-(cyclopentylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9370702
(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 7374115
2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]-N-propylacetamide
CID 8689520
N-(3,5-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371354
methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
CID 60670446
N-(4-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371601

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(methylcarbamoyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(methylcarbamoyl)-2-phenylacetamide (CID 8689269) is (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(methylcarbamoyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(methylcarbamoyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(methylcarbamoyl)-2-phenylacetamide is CCCN(Cc1nnc(-c2ccco2)o1)[C@H](C(=O)NC(=O)NC)c1ccccc1.
What is the InChIKey of (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(methylcarbamoyl)-2-phenylacetamide?
The InChIKey is HWUXEMGWFSOSSF-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-3-11-25(13-16-23-24-19(29-16)15-10-7-12-28-15)17(14-8-5-4-6-9-14)18(26)22-20(27)21-2/h4-10,12,17H,3,11,13H2,1-2H3,(H2,21,22,26,27)/t17-/m0/s1.
What are the key properties of (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(methylcarbamoyl)-2-phenylacetamide?
(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(methylcarbamoyl)-2-phenylacetamide has a molecular weight of 397.44 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 7 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-(methylcarbamoyl)-2-phenylacetamide is sourced from PubChem (CID 8689269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).