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

C17H21N3O3 — CID 3281014

IUPAC3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccccc1-c1noc(CCC(=O)NCC2CCCO2)n1
InChIInChI=1S/C17H21N3O3/c1-12-5-2-3-7-14(12)17-19-16(23-20-17)9-8-15(21)18-11-13-6-4-10-22-13/h2-3,5,7,13H,4,6,8-11H2,1H3,(H,18,21)
InChIKeyCTLQRLFWHIDUFH-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.27
Rot. Bonds6

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

3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 3281014) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID3281014
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccccc1-c1noc(CCC(=O)NCC2CCCO2)n1
InChIInChI=1S/C17H21N3O3/c1-12-5-2-3-7-14(12)17-19-16(23-20-17)9-8-15(21)18-11-13-6-4-10-22-13/h2-3,5,7,13H,4,6,8-11H2,1H3,(H,18,21)
InChIKeyCTLQRLFWHIDUFH-UHFFFAOYSA-N
XLogP2.27
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 3281014) is 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide is Cc1ccccc1-c1noc(CCC(=O)NCC2CCCO2)n1.
What is the InChIKey of 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is CTLQRLFWHIDUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-5-2-3-7-14(12)17-19-16(23-20-17)9-8-15(21)18-11-13-6-4-10-22-13/h2-3,5,7,13H,4,6,8-11H2,1H3,(H,18,21).
What are the key properties of 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide?
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 315.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 3281014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).