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

C15H19N3O3 — CID 91907295

IUPACN-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenylpropanamide
SMILESCOCc1nc(CCNC(=O)C(C)c2ccccc2)no1
InChIInChI=1S/C15H19N3O3/c1-11(12-6-4-3-5-7-12)15(19)16-9-8-13-17-14(10-20-2)21-18-13/h3-7,11H,8-10H2,1-2H3,(H,16,19)
InChIKeyQBVRXKROAJGELP-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.68
Rot. Bonds7

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

N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenylpropanamide (PubChem CID 91907295) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenylpropanamide
PubChem CID91907295
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenylpropanamide
SMILESCOCc1nc(CCNC(=O)C(C)c2ccccc2)no1
InChIInChI=1S/C15H19N3O3/c1-11(12-6-4-3-5-7-12)15(19)16-9-8-13-17-14(10-20-2)21-18-13/h3-7,11H,8-10H2,1-2H3,(H,16,19)
InChIKeyQBVRXKROAJGELP-UHFFFAOYSA-N
XLogP1.68
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenylpropanamide?
The IUPAC name of N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenylpropanamide (CID 91907295) is N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenylpropanamide.
What is the SMILES notation for N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenylpropanamide?
The canonical SMILES for N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenylpropanamide is COCc1nc(CCNC(=O)C(C)c2ccccc2)no1.
What is the InChIKey of N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenylpropanamide?
The InChIKey is QBVRXKROAJGELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11(12-6-4-3-5-7-12)15(19)16-9-8-13-17-14(10-20-2)21-18-13/h3-7,11H,8-10H2,1-2H3,(H,16,19).
What are the key properties of N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenylpropanamide?
N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenylpropanamide has a molecular weight of 289.34 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenylpropanamide is sourced from PubChem (CID 91907295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).