cis-(1R,2S)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide

C20H19N3O2 — CID 92903083

IUPACcis-(1R,2S)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCc1noc(Cc2ccccc2)n1)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C20H19N3O2/c24-20(17-12-16(17)15-9-5-2-6-10-15)21-13-18-22-19(25-23-18)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,21,24)/t16-,17-/m1/s1
InChIKeyPQWDYNSDHACJNE-IAGOWNOFSA-N
MW333.39 g/mol
LogP3.08
Rot. Bonds6

About cis-(1R,2S)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 92903083) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is cis-(1R,2S)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID92903083
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Namecis-(1R,2S)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCc1noc(Cc2ccccc2)n1)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C20H19N3O2/c24-20(17-12-16(17)15-9-5-2-6-10-15)21-13-18-22-19(25-23-18)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,21,24)/t16-,17-/m1/s1
InChIKeyPQWDYNSDHACJNE-IAGOWNOFSA-N
XLogP3.08
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
CID 47437849
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N'-cyclopentylbutanediamide
CID 46999941
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 70750335
(3R)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 97189926
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 110610658
trans-(1S,2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 97314365
trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980
N-(1,3-benzodioxol-5-ylmethyl)-2-phenylcyclopropane-1-carboxamide
CID 2862795
N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 86841366
N-(2-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 111102549
cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 96564457
cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 41098263

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide (CID 92903083) is cis-(1R,2S)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide is O=C(NCc1noc(Cc2ccccc2)n1)[C@@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of cis-(1R,2S)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is PQWDYNSDHACJNE-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(17-12-16(17)15-9-5-2-6-10-15)21-13-18-22-19(25-23-18)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,21,24)/t16-,17-/m1/s1.
What are the key properties of cis-(1R,2S)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 92903083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).