N-[(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide

C17H21N5O4 — CID 125160802

IUPACN-[(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCOCCc1noc([C@@H](C)NC(=O)c2cccc(N3CCNC3=O)c2)n1
InChIInChI=1S/C17H21N5O4/c1-11(16-20-14(21-26-16)6-9-25-2)19-15(23)12-4-3-5-13(10-12)22-8-7-18-17(22)24/h3-5,10-11H,6-9H2,1-2H3,(H,18,24)(H,19,23)/t11-/m1/s1
InChIKeyHAJSGQGWOFDMRD-LLVKDONJSA-N
MW359.39 g/mol
LogP1.28
Rot. Bonds7

About N-[(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide

N-[(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 125160802) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID125160802
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC NameN-[(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCOCCc1noc([C@@H](C)NC(=O)c2cccc(N3CCNC3=O)c2)n1
InChIInChI=1S/C17H21N5O4/c1-11(16-20-14(21-26-16)6-9-25-2)19-15(23)12-4-3-5-13(10-12)22-8-7-18-17(22)24/h3-5,10-11H,6-9H2,1-2H3,(H,18,24)(H,19,23)/t11-/m1/s1
InChIKeyHAJSGQGWOFDMRD-LLVKDONJSA-N
XLogP1.28
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 118763797
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 55790801
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 125442654
methyl 3-(4-fluorophenyl)-3-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoate
CID 55997635
N-[(1S)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-thiophen-2-ylbenzamide
CID 126433153
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 55851280
2-[[3-(2-oxo-1,3-diazinan-1-yl)benzoyl]amino]propanoic acid
CID 119348696
N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 70724046
tert-butyl N-[2-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]ethyl]carbamate
CID 51095782
N'-[2-(4-fluorophenoxy)propanoyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide
CID 55702645
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 72940866
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 55790970

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-[(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide (CID 125160802) is N-[(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-[(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide is COCCc1noc([C@@H](C)NC(=O)c2cccc(N3CCNC3=O)c2)n1.
What is the InChIKey of N-[(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is HAJSGQGWOFDMRD-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-11(16-20-14(21-26-16)6-9-25-2)19-15(23)12-4-3-5-13(10-12)22-8-7-18-17(22)24/h3-5,10-11H,6-9H2,1-2H3,(H,18,24)(H,19,23)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
N-[(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 359.39 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 125160802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).