N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

C20H28N4O3 — CID 86982225

IUPACN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCOc1cccc(C(CNC(=O)CCCc2nc(C)no2)N2CCCC2)c1
InChIInChI=1S/C20H28N4O3/c1-15-22-20(27-23-15)10-6-9-19(25)21-14-18(24-11-3-4-12-24)16-7-5-8-17(13-16)26-2/h5,7-8,13,18H,3-4,6,9-12,14H2,1-2H3,(H,21,25)
InChIKeyBNBOMXJSVZZGDJ-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.66
Rot. Bonds9

About N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 86982225) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID86982225
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCOc1cccc(C(CNC(=O)CCCc2nc(C)no2)N2CCCC2)c1
InChIInChI=1S/C20H28N4O3/c1-15-22-20(27-23-15)10-6-9-19(25)21-14-18(24-11-3-4-12-24)16-7-5-8-17(13-16)26-2/h5,7-8,13,18H,3-4,6,9-12,14H2,1-2H3,(H,21,25)
InChIKeyBNBOMXJSVZZGDJ-UHFFFAOYSA-N
XLogP2.66
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
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N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide
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N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
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1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
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2-(2,5-dimethoxyphenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 78822011
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43035277
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (CID 86982225) is N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is COc1cccc(C(CNC(=O)CCCc2nc(C)no2)N2CCCC2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is BNBOMXJSVZZGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-15-22-20(27-23-15)10-6-9-19(25)21-14-18(24-11-3-4-12-24)16-7-5-8-17(13-16)26-2/h5,7-8,13,18H,3-4,6,9-12,14H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 372.47 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 86982225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).