N-[(2R,3R)-1-[2-(1-benzofuran-2-yl)propanoyl]-2-methylpyrrolidin-3-yl]-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide

C23H28N4O5 — CID 166343768

IUPACN-[(2R,3R)-1-[2-(1-benzofuran-2-yl)propanoyl]-2-methylpyrrolidin-3-yl]-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
SMILESCCc1noc(COCC(=O)N[C@@H]2CCN(C(=O)C(C)c3cc4ccccc4o3)[C@@H]2C)n1
InChIInChI=1S/C23H28N4O5/c1-4-20-25-22(32-26-20)13-30-12-21(28)24-17-9-10-27(15(17)3)23(29)14(2)19-11-16-7-5-6-8-18(16)31-19/h5-8,11,14-15,17H,4,9-10,12-13H2,1-3H3,(H,24,28)/t14?,15-,17-/m1/s1
InChIKeyWEZULMBRXVLGOR-HOSQGPGDSA-N
MW440.50 g/mol
LogP2.80
Rot. Bonds8

About N-[(2R,3R)-1-[2-(1-benzofuran-2-yl)propanoyl]-2-methylpyrrolidin-3-yl]-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide

N-[(2R,3R)-1-[2-(1-benzofuran-2-yl)propanoyl]-2-methylpyrrolidin-3-yl]-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide (PubChem CID 166343768) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[(2R,3R)-1-[2-(1-benzofuran-2-yl)propanoyl]-2-methylpyrrolidin-3-yl]-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-[(2R,3R)-1-[2-(1-benzofuran-2-yl)propanoyl]-2-methylpyrrolidin-3-yl]-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
PubChem CID166343768
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC NameN-[(2R,3R)-1-[2-(1-benzofuran-2-yl)propanoyl]-2-methylpyrrolidin-3-yl]-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
SMILESCCc1noc(COCC(=O)N[C@@H]2CCN(C(=O)C(C)c3cc4ccccc4o3)[C@@H]2C)n1
InChIInChI=1S/C23H28N4O5/c1-4-20-25-22(32-26-20)13-30-12-21(28)24-17-9-10-27(15(17)3)23(29)14(2)19-11-16-7-5-6-8-18(16)31-19/h5-8,11,14-15,17H,4,9-10,12-13H2,1-3H3,(H,24,28)/t14?,15-,17-/m1/s1
InChIKeyWEZULMBRXVLGOR-HOSQGPGDSA-N
XLogP2.80
TPSA110.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2R,3R)-1-[2-(1-benzofuran-2-yl)propanoyl]-2-methylpyrrolidin-3-yl]-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide with MolForge

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Related Compounds

2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 124733045
2-(1-benzofuran-2-yl)-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-one
CID 126793205
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride
CID 119518879
2-(1-benzofuran-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119471792
1-(1-benzofuran-2-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 86843175
1-(2,2-dimethyl-3H-indol-1-yl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]ethanone
CID 138017673
2-(1-benzofuran-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119578543
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 7785508
N-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide
CID 119476753
2-(1-benzofuran-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
CID 120879558
tert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 46612716
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51883476

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-1-[2-(1-benzofuran-2-yl)propanoyl]-2-methylpyrrolidin-3-yl]-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
The IUPAC name of N-[(2R,3R)-1-[2-(1-benzofuran-2-yl)propanoyl]-2-methylpyrrolidin-3-yl]-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide (CID 166343768) is N-[(2R,3R)-1-[2-(1-benzofuran-2-yl)propanoyl]-2-methylpyrrolidin-3-yl]-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide.
What is the SMILES notation for N-[(2R,3R)-1-[2-(1-benzofuran-2-yl)propanoyl]-2-methylpyrrolidin-3-yl]-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
The canonical SMILES for N-[(2R,3R)-1-[2-(1-benzofuran-2-yl)propanoyl]-2-methylpyrrolidin-3-yl]-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide is CCc1noc(COCC(=O)N[C@@H]2CCN(C(=O)C(C)c3cc4ccccc4o3)[C@@H]2C)n1.
What is the InChIKey of N-[(2R,3R)-1-[2-(1-benzofuran-2-yl)propanoyl]-2-methylpyrrolidin-3-yl]-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
The InChIKey is WEZULMBRXVLGOR-HOSQGPGDSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-4-20-25-22(32-26-20)13-30-12-21(28)24-17-9-10-27(15(17)3)23(29)14(2)19-11-16-7-5-6-8-18(16)31-19/h5-8,11,14-15,17H,4,9-10,12-13H2,1-3H3,(H,24,28)/t14?,15-,17-/m1/s1.
What are the key properties of N-[(2R,3R)-1-[2-(1-benzofuran-2-yl)propanoyl]-2-methylpyrrolidin-3-yl]-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
N-[(2R,3R)-1-[2-(1-benzofuran-2-yl)propanoyl]-2-methylpyrrolidin-3-yl]-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide has a molecular weight of 440.50 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-1-[2-(1-benzofuran-2-yl)propanoyl]-2-methylpyrrolidin-3-yl]-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide is sourced from PubChem (CID 166343768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).