(2R,4S)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

C20H26N6O3 — CID 126774419

IUPAC(2R,4S)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCn1c(CCNC(=O)N2C[C@@H](OC)C[C@@H]2c2nc(C)no2)nc2ccccc21
InChIInChI=1S/C20H26N6O3/c1-4-25-16-8-6-5-7-15(16)23-18(25)9-10-21-20(27)26-12-14(28-3)11-17(26)19-22-13(2)24-29-19/h5-8,14,17H,4,9-12H2,1-3H3,(H,21,27)/t14-,17+/m0/s1
InChIKeyKFSXWCSTQXTUME-WMLDXEAASA-N
MW398.47 g/mol
LogP2.46
Rot. Bonds6

About (2R,4S)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

(2R,4S)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 126774419) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is (2R,4S)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID126774419
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name(2R,4S)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCn1c(CCNC(=O)N2C[C@@H](OC)C[C@@H]2c2nc(C)no2)nc2ccccc21
InChIInChI=1S/C20H26N6O3/c1-4-25-16-8-6-5-7-15(16)23-18(25)9-10-21-20(27)26-12-14(28-3)11-17(26)19-22-13(2)24-29-19/h5-8,14,17H,4,9-12H2,1-3H3,(H,21,27)/t14-,17+/m0/s1
InChIKeyKFSXWCSTQXTUME-WMLDXEAASA-N
XLogP2.46
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428120
(2S)-1-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 100629190
1-[2-(1-ethylbenzimidazol-2-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122873
2-methoxy-1-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 128998715
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide
CID 86863132
2-[benzyl(methyl)amino]-1-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 129004728
1-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 128973006
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
(3S)-3-[(dimethylamino)methyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 99626639
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119866339
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 16976665
(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide
CID 119866308

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R,4S)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (CID 126774419) is (2R,4S)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R,4S)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R,4S)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is CCn1c(CCNC(=O)N2C[C@@H](OC)C[C@@H]2c2nc(C)no2)nc2ccccc21.
What is the InChIKey of (2R,4S)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is KFSXWCSTQXTUME-WMLDXEAASA-N. The full InChI is InChI=1S/C20H26N6O3/c1-4-25-16-8-6-5-7-15(16)23-18(25)9-10-21-20(27)26-12-14(28-3)11-17(26)19-22-13(2)24-29-19/h5-8,14,17H,4,9-12H2,1-3H3,(H,21,27)/t14-,17+/m0/s1.
What are the key properties of (2R,4S)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
(2R,4S)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126774419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).