3-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole

C15H16N4O2 — CID 21193526

IUPAC3-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(OCCCc3cnc[nH]3)cc2)no1
InChIInChI=1S/C15H16N4O2/c1-11-18-15(19-21-11)12-4-6-14(7-5-12)20-8-2-3-13-9-16-10-17-13/h4-7,9-10H,2-3,8H2,1H3,(H,16,17)
InChIKeyCLLATYZXQJSEKY-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.78
Rot. Bonds6

About 3-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole

3-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 21193526) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole
PubChem CID21193526
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(OCCCc3cnc[nH]3)cc2)no1
InChIInChI=1S/C15H16N4O2/c1-11-18-15(19-21-11)12-4-6-14(7-5-12)20-8-2-3-13-9-16-10-17-13/h4-7,9-10H,2-3,8H2,1H3,(H,16,17)
InChIKeyCLLATYZXQJSEKY-UHFFFAOYSA-N
XLogP2.78
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-butoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 168997991
5-[2-(4-methylphenoxy)ethyl]-1H-imidazole
CID 10536116
[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanethiol
CID 87662551
4-[3-(1H-imidazol-5-yl)propoxy]thiobenzaldehyde
CID 21193608
1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]imidazole
CID 21193484
4-hydroxy-4-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]butan-2-one
CID 69022253
3-(4-methylphenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole
CID 2995458
N-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 47119130
3-[3-[3-(4-chlorophenoxy)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole
CID 166185984
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]boronic acid
CID 142792272
3-(3-fluoro-4-methylphenyl)-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-1,2,4-oxadiazole
CID 51333661
5-methyl-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]-1,2,4-oxadiazole
CID 95265259

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole (CID 21193526) is 3-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(-c2ccc(OCCCc3cnc[nH]3)cc2)no1.
What is the InChIKey of 3-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is CLLATYZXQJSEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-11-18-15(19-21-11)12-4-6-14(7-5-12)20-8-2-3-13-9-16-10-17-13/h4-7,9-10H,2-3,8H2,1H3,(H,16,17).
What are the key properties of 3-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole?
3-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 284.32 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 21193526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).