3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]propanamide

C20H22N4O4 — CID 87026592

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]propanamide
SMILESCc1noc(CCC(=O)NCc2ccc(OCCOc3ccccc3)nc2)n1
InChIInChI=1S/C20H22N4O4/c1-15-23-20(28-24-15)10-8-18(25)21-13-16-7-9-19(22-14-16)27-12-11-26-17-5-3-2-4-6-17/h2-7,9,14H,8,10-13H2,1H3,(H,21,25)
InChIKeyRTTKREFTYQFMTB-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.48
Rot. Bonds10

About 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]propanamide

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]propanamide (PubChem CID 87026592) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]propanamide
PubChem CID87026592
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]propanamide
SMILESCc1noc(CCC(=O)NCc2ccc(OCCOc3ccccc3)nc2)n1
InChIInChI=1S/C20H22N4O4/c1-15-23-20(28-24-15)10-8-18(25)21-13-16-7-9-19(22-14-16)27-12-11-26-17-5-3-2-4-6-17/h2-7,9,14H,8,10-13H2,1H3,(H,21,25)
InChIKeyRTTKREFTYQFMTB-UHFFFAOYSA-N
XLogP2.48
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]propanamide with MolForge

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Related Compounds

N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 87006587
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 86998505
2-(2-methylindol-1-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]acetamide
CID 52659609
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 55805570
4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide
CID 18139589
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide
CID 55744510
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenoxybutanamide
CID 91794306
N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 60532491
4-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]benzoic acid
CID 119168608
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-phenylpropanoic acid
CID 119254469
N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78876600

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]propanamide (CID 87026592) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]propanamide is Cc1noc(CCC(=O)NCc2ccc(OCCOc3ccccc3)nc2)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]propanamide?
The InChIKey is RTTKREFTYQFMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-15-23-20(28-24-15)10-8-18(25)21-13-16-7-9-19(22-14-16)27-12-11-26-17-5-3-2-4-6-17/h2-7,9,14H,8,10-13H2,1H3,(H,21,25).
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]propanamide?
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]propanamide has a molecular weight of 382.42 g/mol, XLogP of 2.48, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 87026592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).