(2R)-2-amino-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylacetamide;hydrochloride

C20H21ClN4O2 — CID 154892021

IUPAC(2R)-2-amino-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylacetamide;hydrochloride
SMILESC=CCN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H](N)c1ccccc1.Cl
InChIInChI=1S/C20H20N4O2.ClH/c1-2-13-24(20(25)18(21)15-9-5-3-6-10-15)14-17-22-19(23-26-17)16-11-7-4-8-12-16;/h2-12,18H,1,13-14,21H2;1H/t18-;/m1./s1
InChIKeyTZGBWMYQEIKXOO-GMUIIQOCSA-N
MW384.87 g/mol
LogP3.37
Rot. Bonds7

About (2R)-2-amino-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylacetamide;hydrochloride

(2R)-2-amino-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylacetamide;hydrochloride (PubChem CID 154892021) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is (2R)-2-amino-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylacetamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylacetamide;hydrochloride
PubChem CID154892021
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name(2R)-2-amino-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylacetamide;hydrochloride
SMILESC=CCN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H](N)c1ccccc1.Cl
InChIInChI=1S/C20H20N4O2.ClH/c1-2-13-24(20(25)18(21)15-9-5-3-6-10-15)14-17-22-19(23-26-17)16-11-7-4-8-12-16;/h2-12,18H,1,13-14,21H2;1H/t18-;/m1./s1
InChIKeyTZGBWMYQEIKXOO-GMUIIQOCSA-N
XLogP3.37
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-prop-2-enylurea
CID 8895595
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-yl-N-prop-2-enyl-1,2-oxazole-5-carboxamide
CID 50953657
3-tert-butyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-prop-2-enylurea
CID 6462165
2-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylfuran-3-carboxamide
CID 6462831
2,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylbenzamide
CID 8875297
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 6464157
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylpropanamide
CID 8894930
2-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide
CID 8835731
3-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide
CID 8835655
3-(4-methylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-prop-2-enylurea
CID 17325317
(2S)-2-(3-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylpropanamide
CID 8894838
(2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide
CID 104898275

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylacetamide;hydrochloride?
The IUPAC name of (2R)-2-amino-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylacetamide;hydrochloride (CID 154892021) is (2R)-2-amino-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylacetamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylacetamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylacetamide;hydrochloride is C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H](N)c1ccccc1.Cl.
What is the InChIKey of (2R)-2-amino-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylacetamide;hydrochloride?
The InChIKey is TZGBWMYQEIKXOO-GMUIIQOCSA-N. The full InChI is InChI=1S/C20H20N4O2.ClH/c1-2-13-24(20(25)18(21)15-9-5-3-6-10-15)14-17-22-19(23-26-17)16-11-7-4-8-12-16;/h2-12,18H,1,13-14,21H2;1H/t18-;/m1./s1.
What are the key properties of (2R)-2-amino-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylacetamide;hydrochloride?
(2R)-2-amino-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylacetamide;hydrochloride has a molecular weight of 384.87 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylacetamide;hydrochloride is sourced from PubChem (CID 154892021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).