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

C19H25N3O6 — CID 3740965

IUPACN-(oxolan-2-ylmethyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1cc(-c2noc(CCC(=O)NCC3CCCO3)n2)cc(OC)c1OC
InChIInChI=1S/C19H25N3O6/c1-24-14-9-12(10-15(25-2)18(14)26-3)19-21-17(28-22-19)7-6-16(23)20-11-13-5-4-8-27-13/h9-10,13H,4-8,11H2,1-3H3,(H,20,23)
InChIKeyFINRVVURDHFMCW-UHFFFAOYSA-N
MW391.42 g/mol
LogP1.99
Rot. Bonds9

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

N-(oxolan-2-ylmethyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 3740965) has the molecular formula C19H25N3O6 and a molecular weight of 391.42 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID3740965
Molecular FormulaC19H25N3O6
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC NameN-(oxolan-2-ylmethyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1cc(-c2noc(CCC(=O)NCC3CCCO3)n2)cc(OC)c1OC
InChIInChI=1S/C19H25N3O6/c1-24-14-9-12(10-15(25-2)18(14)26-3)19-21-17(28-22-19)7-6-16(23)20-11-13-5-4-8-27-13/h9-10,13H,4-8,11H2,1-3H3,(H,20,23)
InChIKeyFINRVVURDHFMCW-UHFFFAOYSA-N
XLogP1.99
TPSA104.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(oxolan-2-ylmethyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 7419913
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 91636598
N-[[(2S)-oxolan-2-yl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 34750356
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 2227018
N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18168436
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 133209749
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 100763862
N-[[(4S)-1,3-dioxan-4-yl]methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 97000305
3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 133209775
3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 2038164
N-(oxolan-2-ylmethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 133200584
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019364

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 3740965) is N-(oxolan-2-ylmethyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is COc1cc(-c2noc(CCC(=O)NCC3CCCO3)n2)cc(OC)c1OC.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is FINRVVURDHFMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6/c1-24-14-9-12(10-15(25-2)18(14)26-3)19-21-17(28-22-19)7-6-16(23)20-11-13-5-4-8-27-13/h9-10,13H,4-8,11H2,1-3H3,(H,20,23).
What are the key properties of N-(oxolan-2-ylmethyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(oxolan-2-ylmethyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 391.42 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 3740965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).