3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide

C17H21N3O4 — CID 3159490

IUPAC3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCOc1cccc(-c2noc(CCC(=O)NCC3CCCO3)n2)c1
InChIInChI=1S/C17H21N3O4/c1-22-13-5-2-4-12(10-13)17-19-16(24-20-17)8-7-15(21)18-11-14-6-3-9-23-14/h2,4-5,10,14H,3,6-9,11H2,1H3,(H,18,21)
InChIKeyBOVJUENIHGDUPO-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.97
Rot. Bonds7

About 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide

3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 3159490) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID3159490
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCOc1cccc(-c2noc(CCC(=O)NCC3CCCO3)n2)c1
InChIInChI=1S/C17H21N3O4/c1-22-13-5-2-4-12(10-13)17-19-16(24-20-17)8-7-15(21)18-11-14-6-3-9-23-14/h2,4-5,10,14H,3,6-9,11H2,1H3,(H,18,21)
InChIKeyBOVJUENIHGDUPO-UHFFFAOYSA-N
XLogP1.97
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 3159490) is 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide is COc1cccc(-c2noc(CCC(=O)NCC3CCCO3)n2)c1.
What is the InChIKey of 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is BOVJUENIHGDUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-22-13-5-2-4-12(10-13)17-19-16(24-20-17)8-7-15(21)18-11-14-6-3-9-23-14/h2,4-5,10,14H,3,6-9,11H2,1H3,(H,18,21).
What are the key properties of 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide?
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 331.37 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 3159490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).