(2S)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide

C19H19N3O3 — CID 92903063

IUPAC(2S)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
SMILESC[C@H](C(=O)NCc1noc(COc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C19H19N3O3/c1-14(15-8-4-2-5-9-15)19(23)20-12-17-21-18(25-22-17)13-24-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyXUGIFUKIYPIVRI-AWEZNQCLSA-N
MW337.38 g/mol
LogP3.07
Rot. Bonds7

About (2S)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide

(2S)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide (PubChem CID 92903063) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2S)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
PubChem CID92903063
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(2S)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
SMILESC[C@H](C(=O)NCc1noc(COc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C19H19N3O3/c1-14(15-8-4-2-5-9-15)19(23)20-12-17-21-18(25-22-17)13-24-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyXUGIFUKIYPIVRI-AWEZNQCLSA-N
XLogP3.07
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylbutanamide
CID 95062352
N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 50755004
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 53049075
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenoxybutanamide
CID 91794306
(2S)-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 95062335
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 2-(phenoxymethyl)benzoate
CID 55522496
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50754879
2-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106391286
(1R)-1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 55189536
N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide;hydrochloride
CID 120867875
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[[4-(phenoxymethyl)phenyl]methyl]benzamide
CID 39509186
N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63351995

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide?
The IUPAC name of (2S)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide (CID 92903063) is (2S)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide?
The canonical SMILES for (2S)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide is C[C@H](C(=O)NCc1noc(COc2ccccc2)n1)c1ccccc1.
What is the InChIKey of (2S)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide?
The InChIKey is XUGIFUKIYPIVRI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-14(15-8-4-2-5-9-15)19(23)20-12-17-21-18(25-22-17)13-24-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,23)/t14-/m0/s1.
What are the key properties of (2S)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide?
(2S)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide has a molecular weight of 337.38 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide is sourced from PubChem (CID 92903063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).