(2S)-2-methoxy-2-phenyl-N-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide

C18H18N4O3 — CID 96999508

IUPAC(2S)-2-methoxy-2-phenyl-N-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESCO[C@H](C(=O)NCCc1noc(-c2ccccn2)n1)c1ccccc1
InChIInChI=1S/C18H18N4O3/c1-24-16(13-7-3-2-4-8-13)17(23)20-12-10-15-21-18(25-22-15)14-9-5-6-11-19-14/h2-9,11,16H,10,12H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyXAJWIHSUYZECFF-INIZCTEOSA-N
MW338.37 g/mol
LogP2.18
Rot. Bonds7

About (2S)-2-methoxy-2-phenyl-N-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide

(2S)-2-methoxy-2-phenyl-N-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide (PubChem CID 96999508) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is (2S)-2-methoxy-2-phenyl-N-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name(2S)-2-methoxy-2-phenyl-N-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
PubChem CID96999508
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name(2S)-2-methoxy-2-phenyl-N-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESCO[C@H](C(=O)NCCc1noc(-c2ccccn2)n1)c1ccccc1
InChIInChI=1S/C18H18N4O3/c1-24-16(13-7-3-2-4-8-13)17(23)20-12-10-15-21-18(25-22-15)14-9-5-6-11-19-14/h2-9,11,16H,10,12H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyXAJWIHSUYZECFF-INIZCTEOSA-N
XLogP2.18
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 115078766
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111766049
5-fluoro-2-hydroxy-N-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 71975959
2-methyl-1-(2-phenylsulfanylethyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111767321
2-methyl-1-(2-pyridin-2-ylethyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111762365
2-methyl-1-(3-phenylpropyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111762693
1-ethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111765826
ethyl 6-methyl-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylate
CID 154835412
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111762778
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111764238
1-(3-ethoxypropyl)-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111763267
1-ethyl-2-(3-methylbutyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111759213

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-phenyl-N-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The IUPAC name of (2S)-2-methoxy-2-phenyl-N-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide (CID 96999508) is (2S)-2-methoxy-2-phenyl-N-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide.
What is the SMILES notation for (2S)-2-methoxy-2-phenyl-N-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The canonical SMILES for (2S)-2-methoxy-2-phenyl-N-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide is CO[C@H](C(=O)NCCc1noc(-c2ccccn2)n1)c1ccccc1.
What is the InChIKey of (2S)-2-methoxy-2-phenyl-N-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The InChIKey is XAJWIHSUYZECFF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-24-16(13-7-3-2-4-8-13)17(23)20-12-10-15-21-18(25-22-15)14-9-5-6-11-19-14/h2-9,11,16H,10,12H2,1H3,(H,20,23)/t16-/m0/s1.
What are the key properties of (2S)-2-methoxy-2-phenyl-N-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
(2S)-2-methoxy-2-phenyl-N-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide has a molecular weight of 338.37 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-phenyl-N-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 96999508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).