(2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-phenylpropanamide

C21H24N4O2 — CID 119317575

IUPAC(2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-phenylpropanamide
SMILESCCc1noc(-c2ccc(CCNC(=O)[C@@H](N)Cc3ccccc3)cc2)n1
InChIInChI=1S/C21H24N4O2/c1-2-19-24-21(27-25-19)17-10-8-15(9-11-17)12-13-23-20(26)18(22)14-16-6-4-3-5-7-16/h3-11,18H,2,12-14,22H2,1H3,(H,23,26)/t18-/m0/s1
InChIKeyDPXUZKZPRYTOEC-SFHVURJKSA-N
MW364.45 g/mol
LogP2.53
Rot. Bonds8

About (2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-phenylpropanamide

(2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-phenylpropanamide (PubChem CID 119317575) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-phenylpropanamide
PubChem CID119317575
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-phenylpropanamide
SMILESCCc1noc(-c2ccc(CCNC(=O)[C@@H](N)Cc3ccccc3)cc2)n1
InChIInChI=1S/C21H24N4O2/c1-2-19-24-21(27-25-19)17-10-8-15(9-11-17)12-13-23-20(26)18(22)14-16-6-4-3-5-7-16/h3-11,18H,2,12-14,22H2,1H3,(H,23,26)/t18-/m0/s1
InChIKeyDPXUZKZPRYTOEC-SFHVURJKSA-N
XLogP2.53
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-phenylacetamide;hydrochloride
CID 119317584
(2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119317564
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-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119326873
2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methylpentanamide
CID 119773286
2-amino-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 60904033
(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 70832630
1-ethyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(2-hydroxy-2-phenylpropyl)guanidine
CID 109418532
2-(2-aminoethyl)-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 120630795
1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-(2-phenoxyethyl)guanidine
CID 111006273

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-phenylpropanamide (CID 119317575) is (2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-phenylpropanamide is CCc1noc(-c2ccc(CCNC(=O)[C@@H](N)Cc3ccccc3)cc2)n1.
What is the InChIKey of (2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-phenylpropanamide?
The InChIKey is DPXUZKZPRYTOEC-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-2-19-24-21(27-25-19)17-10-8-15(9-11-17)12-13-23-20(26)18(22)14-16-6-4-3-5-7-16/h3-11,18H,2,12-14,22H2,1H3,(H,23,26)/t18-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-phenylpropanamide?
(2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-phenylpropanamide has a molecular weight of 364.45 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 119317575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).