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

C20H21N3O3 — CID 95062352

IUPAC(2R)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NCc1noc(COc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-2-17(15-9-5-3-6-10-15)20(24)21-13-18-22-19(26-23-18)14-25-16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyJKJLFIKPQRLTOM-QGZVFWFLSA-N
MW351.41 g/mol
LogP3.46
Rot. Bonds8

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

(2R)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylbutanamide (PubChem CID 95062352) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (2R)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylbutanamide
PubChem CID95062352
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(2R)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NCc1noc(COc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-2-17(15-9-5-3-6-10-15)20(24)21-13-18-22-19(26-23-18)14-25-16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyJKJLFIKPQRLTOM-QGZVFWFLSA-N
XLogP3.46
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 92903063
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenoxybutanamide
CID 91794306
N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 50755004
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50754879
(2R)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylbutanamide
CID 7425580
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylbutanamide
CID 6462939
(2R)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenylbutanamide
CID 97414224
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-phenylbutanamide
CID 72718115
(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 40538690
(1R)-1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 55189536
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-phenylbutanamide
CID 91966981
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
CID 3430274

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylbutanamide (CID 95062352) is (2R)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylbutanamide is CC[C@@H](C(=O)NCc1noc(COc2ccccc2)n1)c1ccccc1.
What is the InChIKey of (2R)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylbutanamide?
The InChIKey is JKJLFIKPQRLTOM-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-17(15-9-5-3-6-10-15)20(24)21-13-18-22-19(26-23-18)14-25-16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,21,24)/t17-/m1/s1.
What are the key properties of (2R)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylbutanamide?
(2R)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylbutanamide has a molecular weight of 351.41 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylbutanamide is sourced from PubChem (CID 95062352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).