N-(3-imidazol-1-ylpropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C20H25N5O2 — CID 51331174

IUPACN-(3-imidazol-1-ylpropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)c1ccc(-c2noc(CCC(=O)NCCCn3ccnc3)n2)cc1
InChIInChI=1S/C20H25N5O2/c1-15(2)16-4-6-17(7-5-16)20-23-19(27-24-20)9-8-18(26)22-10-3-12-25-13-11-21-14-25/h4-7,11,13-15H,3,8-10,12H2,1-2H3,(H,22,26)
InChIKeyUXACSGVWPIJTNI-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.20
Rot. Bonds9

About N-(3-imidazol-1-ylpropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(3-imidazol-1-ylpropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 51331174) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID51331174
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-(3-imidazol-1-ylpropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)c1ccc(-c2noc(CCC(=O)NCCCn3ccnc3)n2)cc1
InChIInChI=1S/C20H25N5O2/c1-15(2)16-4-6-17(7-5-16)20-23-19(27-24-20)9-8-18(26)22-10-3-12-25-13-11-21-14-25/h4-7,11,13-15H,3,8-10,12H2,1-2H3,(H,22,26)
InChIKeyUXACSGVWPIJTNI-UHFFFAOYSA-N
XLogP3.20
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119406004
5-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]pentanoic acid
CID 119234607
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 18148189
N-(3-imidazol-1-ylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51265544
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 30483528
N-[2-oxo-2-(propylamino)ethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 35354145
N-(3-benzylsulfonylpropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55663640
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55526537
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 55931412
N-[3-(1H-benzimidazol-2-yl)propyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31122671
N-[(4-chlorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31064361
N-[2-(4-fluorophenoxy)ethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 37360908

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 51331174) is N-(3-imidazol-1-ylpropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CC(C)c1ccc(-c2noc(CCC(=O)NCCCn3ccnc3)n2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is UXACSGVWPIJTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-15(2)16-4-6-17(7-5-16)20-23-19(27-24-20)9-8-18(26)22-10-3-12-25-13-11-21-14-25/h4-7,11,13-15H,3,8-10,12H2,1-2H3,(H,22,26).
What are the key properties of N-(3-imidazol-1-ylpropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(3-imidazol-1-ylpropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 367.45 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 51331174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).