N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C17H20N4O3 — CID 94815501

IUPACN-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1noc([C@H](C)NC(=O)c2cccc(CN3CCCC3=O)c2)n1
InChIInChI=1S/C17H20N4O3/c1-11(17-19-12(2)20-24-17)18-16(23)14-6-3-5-13(9-14)10-21-8-4-7-15(21)22/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,18,23)/t11-/m0/s1
InChIKeyGPDFOLKPKBIKTD-NSHDSACASA-N
MW328.37 g/mol
LogP1.99
Rot. Bonds5

About N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 94815501) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID94815501
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1noc([C@H](C)NC(=O)c2cccc(CN3CCCC3=O)c2)n1
InChIInChI=1S/C17H20N4O3/c1-11(17-19-12(2)20-24-17)18-16(23)14-6-3-5-13(9-14)10-21-8-4-7-15(21)22/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,18,23)/t11-/m0/s1
InChIKeyGPDFOLKPKBIKTD-NSHDSACASA-N
XLogP1.99
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51966657
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N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9264414
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9478642
N-[1-(3,4-diethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55407060
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CID 9258728
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CID 45339810
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 87025907
N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 52800488
N-[1-(1-benzofuran-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 18086673
3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 94815501) is N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is Cc1noc([C@H](C)NC(=O)c2cccc(CN3CCCC3=O)c2)n1.
What is the InChIKey of N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is GPDFOLKPKBIKTD-NSHDSACASA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11(17-19-12(2)20-24-17)18-16(23)14-6-3-5-13(9-14)10-21-8-4-7-15(21)22/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,18,23)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 328.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 94815501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).