N-phenyl-2-[5-[(1R,2R)-2-(pyrrolidine-1-carbonyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide

C21H26N4O3 — CID 100659849

IUPACN-phenyl-2-[5-[(1R,2R)-2-(pyrrolidine-1-carbonyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cc1noc([C@@H]2CCCC[C@H]2C(=O)N2CCCC2)n1)Nc1ccccc1
InChIInChI=1S/C21H26N4O3/c26-19(22-15-8-2-1-3-9-15)14-18-23-20(28-24-18)16-10-4-5-11-17(16)21(27)25-12-6-7-13-25/h1-3,8-9,16-17H,4-7,10-14H2,(H,22,26)/t16-,17-/m1/s1
InChIKeyFUKYBTZFMDADPM-IAGOWNOFSA-N
MW382.46 g/mol
LogP3.15
Rot. Bonds5

About N-phenyl-2-[5-[(1R,2R)-2-(pyrrolidine-1-carbonyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide

N-phenyl-2-[5-[(1R,2R)-2-(pyrrolidine-1-carbonyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 100659849) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-phenyl-2-[5-[(1R,2R)-2-(pyrrolidine-1-carbonyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[5-[(1R,2R)-2-(pyrrolidine-1-carbonyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID100659849
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-phenyl-2-[5-[(1R,2R)-2-(pyrrolidine-1-carbonyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cc1noc([C@@H]2CCCC[C@H]2C(=O)N2CCCC2)n1)Nc1ccccc1
InChIInChI=1S/C21H26N4O3/c26-19(22-15-8-2-1-3-9-15)14-18-23-20(28-24-18)16-10-4-5-11-17(16)21(27)25-12-6-7-13-25/h1-3,8-9,16-17H,4-7,10-14H2,(H,22,26)/t16-,17-/m1/s1
InChIKeyFUKYBTZFMDADPM-IAGOWNOFSA-N
XLogP3.15
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 174238017
N-phenyl-2-[5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 124843527
[(1R,2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-pyrrolidin-1-ylmethanone
CID 100659445
2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride
CID 120838608
2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103979801
2-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide
CID 71876197
2-[5-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide
CID 95899316
3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39339684
2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 99632717
N-[[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 120838595
2-[3-[[2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]phenyl]acetic acid
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2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
CID 109140677

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[5-[(1R,2R)-2-(pyrrolidine-1-carbonyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-phenyl-2-[5-[(1R,2R)-2-(pyrrolidine-1-carbonyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide (CID 100659849) is N-phenyl-2-[5-[(1R,2R)-2-(pyrrolidine-1-carbonyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-phenyl-2-[5-[(1R,2R)-2-(pyrrolidine-1-carbonyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-phenyl-2-[5-[(1R,2R)-2-(pyrrolidine-1-carbonyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide is O=C(Cc1noc([C@@H]2CCCC[C@H]2C(=O)N2CCCC2)n1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[5-[(1R,2R)-2-(pyrrolidine-1-carbonyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is FUKYBTZFMDADPM-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H26N4O3/c26-19(22-15-8-2-1-3-9-15)14-18-23-20(28-24-18)16-10-4-5-11-17(16)21(27)25-12-6-7-13-25/h1-3,8-9,16-17H,4-7,10-14H2,(H,22,26)/t16-,17-/m1/s1.
What are the key properties of N-phenyl-2-[5-[(1R,2R)-2-(pyrrolidine-1-carbonyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide?
N-phenyl-2-[5-[(1R,2R)-2-(pyrrolidine-1-carbonyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[5-[(1R,2R)-2-(pyrrolidine-1-carbonyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 100659849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).