(2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-1-(1H-indol-3-yl)propan-1-one

C21H22N4O3 — CID 8689342

IUPAC(2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-1-(1H-indol-3-yl)propan-1-one
SMILESCCCN(Cc1nnc(-c2ccco2)o1)[C@H](C)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H22N4O3/c1-3-10-25(13-19-23-24-21(28-19)18-9-6-11-27-18)14(2)20(26)16-12-22-17-8-5-4-7-15(16)17/h4-9,11-12,14,22H,3,10,13H2,1-2H3/t14-/m1/s1
InChIKeyJKEDACVAUXJCNP-CQSZACIVSA-N
MW378.43 g/mol
LogP4.29
Rot. Bonds8

About (2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-1-(1H-indol-3-yl)propan-1-one

(2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-1-(1H-indol-3-yl)propan-1-one (PubChem CID 8689342) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is (2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-1-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-1-(1H-indol-3-yl)propan-1-one
PubChem CID8689342
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name(2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-1-(1H-indol-3-yl)propan-1-one
SMILESCCCN(Cc1nnc(-c2ccco2)o1)[C@H](C)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H22N4O3/c1-3-10-25(13-19-23-24-21(28-19)18-9-6-11-27-18)14(2)20(26)16-12-22-17-8-5-4-7-15(16)17/h4-9,11-12,14,22H,3,10,13H2,1-2H3/t14-/m1/s1
InChIKeyJKEDACVAUXJCNP-CQSZACIVSA-N
XLogP4.29
TPSA88.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(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
(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8689269
(2R)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-2-phenylacetamide
CID 8689304
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)propan-1-one
CID 42984131
4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]butanoic acid
CID 55005935
2-(furan-2-yl)-5-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 135569596
N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-N-propylbenzamide
CID 26172473
N-(3,5-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371354
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(propylcarbamoyl)acetamide
CID 9370842
2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]-N-propylacetamide
CID 8689520
(2R)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine
CID 94023261

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-1-(1H-indol-3-yl)propan-1-one?
The IUPAC name of (2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-1-(1H-indol-3-yl)propan-1-one (CID 8689342) is (2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-1-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for (2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-1-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for (2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-1-(1H-indol-3-yl)propan-1-one is CCCN(Cc1nnc(-c2ccco2)o1)[C@H](C)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of (2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-1-(1H-indol-3-yl)propan-1-one?
The InChIKey is JKEDACVAUXJCNP-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-3-10-25(13-19-23-24-21(28-19)18-9-6-11-27-18)14(2)20(26)16-12-22-17-8-5-4-7-15(16)17/h4-9,11-12,14,22H,3,10,13H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-1-(1H-indol-3-yl)propan-1-one?
(2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-1-(1H-indol-3-yl)propan-1-one has a molecular weight of 378.43 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-1-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 8689342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).