N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C21H24N4O3 — CID 55748204

IUPACN-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)OCc1cccc(CNC(=O)CCc2nc(-c3cccnc3)no2)c1
InChIInChI=1S/C21H24N4O3/c1-15(2)27-14-17-6-3-5-16(11-17)12-23-19(26)8-9-20-24-21(25-28-20)18-7-4-10-22-13-18/h3-7,10-11,13,15H,8-9,12,14H2,1-2H3,(H,23,26)
InChIKeyLGFILKYWZPPONO-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.31
Rot. Bonds9

About N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55748204) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID55748204
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)OCc1cccc(CNC(=O)CCc2nc(-c3cccnc3)no2)c1
InChIInChI=1S/C21H24N4O3/c1-15(2)27-14-17-6-3-5-16(11-17)12-23-19(26)8-9-20-24-21(25-28-20)18-7-4-10-22-13-18/h3-7,10-11,13,15H,8-9,12,14H2,1-2H3,(H,23,26)
InChIKeyLGFILKYWZPPONO-UHFFFAOYSA-N
XLogP3.31
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3-(3-pyridin-3-yl-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

N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78868323
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 667378
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55693843
N-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46471626
N-(2-phenylpropyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 42957633
N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 91772443
N-(3-methoxyphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51233747
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(2-pyridin-3-ylethyl)propanamide
CID 30768847
N-[1-(3-bromophenyl)ethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55625576
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 142672377
methyl 3-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate
CID 16765520
N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39157817

Frequently Asked Questions

What is the IUPAC name of N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55748204) is N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is CC(C)OCc1cccc(CNC(=O)CCc2nc(-c3cccnc3)no2)c1.
What is the InChIKey of N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is LGFILKYWZPPONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-15(2)27-14-17-6-3-5-16(11-17)12-23-19(26)8-9-20-24-21(25-28-20)18-7-4-10-22-13-18/h3-7,10-11,13,15H,8-9,12,14H2,1-2H3,(H,23,26).
What are the key properties of N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 380.45 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55748204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).