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

C21H25N5O4 — CID 8689304

IUPAC(2R)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-2-phenylacetamide
SMILESCCCN(Cc1nnc(-c2ccco2)o1)[C@@H](C(=O)NC(=O)NCC)c1ccccc1
InChIInChI=1S/C21H25N5O4/c1-3-12-26(14-17-24-25-20(30-17)16-11-8-13-29-16)18(15-9-6-5-7-10-15)19(27)23-21(28)22-4-2/h5-11,13,18H,3-4,12,14H2,1-2H3,(H2,22,23,27,28)/t18-/m1/s1
InChIKeyCEHQQJXBAQRONR-GOSISDBHSA-N
MW411.46 g/mol
LogP3.13
Rot. Bonds9

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

(2R)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-2-phenylacetamide (PubChem CID 8689304) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is (2R)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-2-phenylacetamide
PubChem CID8689304
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC Name(2R)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-2-phenylacetamide
SMILESCCCN(Cc1nnc(-c2ccco2)o1)[C@@H](C(=O)NC(=O)NCC)c1ccccc1
InChIInChI=1S/C21H25N5O4/c1-3-12-26(14-17-24-25-20(30-17)16-11-8-13-29-16)18(15-9-6-5-7-10-15)19(27)23-21(28)22-4-2/h5-11,13,18H,3-4,12,14H2,1-2H3,(H2,22,23,27,28)/t18-/m1/s1
InChIKeyCEHQQJXBAQRONR-GOSISDBHSA-N
XLogP3.13
TPSA113.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8689269
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(propylcarbamoyl)acetamide
CID 9370842
(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2,4,6-trimethylphenyl)propanamide
CID 9370983
N-ethyl-2-[ethyl-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide
CID 8682611
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-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 18197616
(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
2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]-N-propylacetamide
CID 8689520
1-benzyl-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpyrazole-4-carboxamide
CID 32569655
2-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]benzonitrile
CID 8689347
N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-N-propylbenzamide
CID 26172473

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-2-phenylacetamide?
The IUPAC name of (2R)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-2-phenylacetamide (CID 8689304) is (2R)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-2-phenylacetamide?
The canonical SMILES for (2R)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-2-phenylacetamide is CCCN(Cc1nnc(-c2ccco2)o1)[C@@H](C(=O)NC(=O)NCC)c1ccccc1.
What is the InChIKey of (2R)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-2-phenylacetamide?
The InChIKey is CEHQQJXBAQRONR-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-3-12-26(14-17-24-25-20(30-17)16-11-8-13-29-16)18(15-9-6-5-7-10-15)19(27)23-21(28)22-4-2/h5-11,13,18H,3-4,12,14H2,1-2H3,(H2,22,23,27,28)/t18-/m1/s1.
What are the key properties of (2R)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-2-phenylacetamide?
(2R)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-2-phenylacetamide has a molecular weight of 411.46 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-2-phenylacetamide is sourced from PubChem (CID 8689304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).