2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-phenylacetamide;hydrochloride

C20H23ClN4O2 — CID 119317584

IUPAC2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-phenylacetamide;hydrochloride
SMILESCCc1noc(-c2ccc(CCNC(=O)C(N)c3ccccc3)cc2)n1.Cl
InChIInChI=1S/C20H22N4O2.ClH/c1-2-17-23-20(26-24-17)16-10-8-14(9-11-16)12-13-22-19(25)18(21)15-6-4-3-5-7-15;/h3-11,18H,2,12-13,21H2,1H3,(H,22,25);1H
InChIKeyZYMWHBCQDXFCNV-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.08
Rot. Bonds7

About 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-phenylacetamide;hydrochloride

2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-phenylacetamide;hydrochloride (PubChem CID 119317584) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-phenylacetamide;hydrochloride
PubChem CID119317584
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-phenylacetamide;hydrochloride
SMILESCCc1noc(-c2ccc(CCNC(=O)C(N)c3ccccc3)cc2)n1.Cl
InChIInChI=1S/C20H22N4O2.ClH/c1-2-17-23-20(26-24-17)16-10-8-14(9-11-16)12-13-22-19(25)18(21)15-6-4-3-5-7-15;/h3-11,18H,2,12-13,21H2,1H3,(H,22,25);1H
InChIKeyZYMWHBCQDXFCNV-UHFFFAOYSA-N
XLogP3.08
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119317564
(2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-phenylpropanamide
CID 119317575
2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-methylpentanamide;hydrochloride
CID 119773273
3-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119317568
2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(oxan-4-yl)acetamide
CID 120792048
(2S)-2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-phenylacetamide
CID 106416224
2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methylpentanamide
CID 119773286
1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-(2-phenoxyethyl)guanidine
CID 111006273
2-(2-aminoethyl)-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 120630795
1-benzyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1,2-dimethylguanidine
CID 110951672
1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227458
2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-phenylguanidine;hydroiodide
CID 110935533

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-phenylacetamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-phenylacetamide;hydrochloride (CID 119317584) is 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-phenylacetamide;hydrochloride is CCc1noc(-c2ccc(CCNC(=O)C(N)c3ccccc3)cc2)n1.Cl.
What is the InChIKey of 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-phenylacetamide;hydrochloride?
The InChIKey is ZYMWHBCQDXFCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2.ClH/c1-2-17-23-20(26-24-17)16-10-8-14(9-11-16)12-13-22-19(25)18(21)15-6-4-3-5-7-15;/h3-11,18H,2,12-13,21H2,1H3,(H,22,25);1H.
What are the key properties of 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-phenylacetamide;hydrochloride?
2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-phenylacetamide;hydrochloride has a molecular weight of 386.88 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 119317584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).