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

C16H21N3O2 — CID 50755004

IUPACN-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
SMILESCC(C)Cc1nc(CNC(=O)C(C)c2ccccc2)no1
InChIInChI=1S/C16H21N3O2/c1-11(2)9-15-18-14(19-21-15)10-17-16(20)12(3)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,17,20)
InChIKeyUKDZGNGMJGIYGE-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.69
Rot. Bonds6

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

N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide (PubChem CID 50755004) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
PubChem CID50755004
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
SMILESCC(C)Cc1nc(CNC(=O)C(C)c2ccccc2)no1
InChIInChI=1S/C16H21N3O2/c1-11(2)9-15-18-14(19-21-15)10-17-16(20)12(3)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,17,20)
InChIKeyUKDZGNGMJGIYGE-UHFFFAOYSA-N
XLogP2.69
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 92903063
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 53049075
(2S)-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 95062335
2-hydroxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylsulfanylbutanamide
CID 118768053
2-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106391286
2-[(R)-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfinyl]-N-[(1R)-1-phenylethyl]acetamide
CID 95764861
(2R)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylbutanamide
CID 95062352
(1S)-2-(4-methylpiperazin-1-yl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-phenylethanamine
CID 97258453
2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzoic acid
CID 16781340
3-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]imidazole-4-carboxamide
CID 118775391
N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 118770027
1-(2-hydroxy-1-phenylethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 111507731

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide?
The IUPAC name of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide (CID 50755004) is N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide.
What is the SMILES notation for N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide?
The canonical SMILES for N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide is CC(C)Cc1nc(CNC(=O)C(C)c2ccccc2)no1.
What is the InChIKey of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide?
The InChIKey is UKDZGNGMJGIYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)9-15-18-14(19-21-15)10-17-16(20)12(3)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,17,20).
What are the key properties of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide?
N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide has a molecular weight of 287.36 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide is sourced from PubChem (CID 50755004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).