5-(1-cyclohexylazetidin-3-yl)-3-(1-imidazol-1-ylethyl)-1,2,4-oxadiazole

C16H23N5O — CID 167947473

IUPAC5-(1-cyclohexylazetidin-3-yl)-3-(1-imidazol-1-ylethyl)-1,2,4-oxadiazole
SMILESCC(c1noc(C2CN(C3CCCCC3)C2)n1)n1ccnc1
InChIInChI=1S/C16H23N5O/c1-12(20-8-7-17-11-20)15-18-16(22-19-15)13-9-21(10-13)14-5-3-2-4-6-14/h7-8,11-14H,2-6,9-10H2,1H3
InChIKeyMXHCBESTLHRQHU-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.61
Rot. Bonds4

About 5-(1-cyclohexylazetidin-3-yl)-3-(1-imidazol-1-ylethyl)-1,2,4-oxadiazole

5-(1-cyclohexylazetidin-3-yl)-3-(1-imidazol-1-ylethyl)-1,2,4-oxadiazole (PubChem CID 167947473) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-(1-cyclohexylazetidin-3-yl)-3-(1-imidazol-1-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-cyclohexylazetidin-3-yl)-3-(1-imidazol-1-ylethyl)-1,2,4-oxadiazole
PubChem CID167947473
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name5-(1-cyclohexylazetidin-3-yl)-3-(1-imidazol-1-ylethyl)-1,2,4-oxadiazole
SMILESCC(c1noc(C2CN(C3CCCCC3)C2)n1)n1ccnc1
InChIInChI=1S/C16H23N5O/c1-12(20-8-7-17-11-20)15-18-16(22-19-15)13-9-21(10-13)14-5-3-2-4-6-14/h7-8,11-14H,2-6,9-10H2,1H3
InChIKeyMXHCBESTLHRQHU-UHFFFAOYSA-N
XLogP2.61
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-cyclohexylazetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 128791883
3-(5-bromofuran-2-yl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole
CID 136548166
6-(1-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 69327704
3-(3-chloro-2-methoxyphenyl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole
CID 138052702
3-(1-imidazol-1-ylethyl)-5-(2-iodo-4,5-dimethoxyphenyl)-1,2,4-oxadiazole
CID 167803439
N-cyclohexyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121098776
1-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)butan-1-ol
CID 104704309
3-(1-chlorobutyl)-5-cycloheptyl-1,2,4-oxadiazole
CID 103095789
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61326658
1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine
CID 61323612
(3S)-1-cycloheptyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine
CID 97188602
3-(1-imidazol-1-ylethyl)-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2,4-oxadiazole
CID 137099668

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexylazetidin-3-yl)-3-(1-imidazol-1-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-cyclohexylazetidin-3-yl)-3-(1-imidazol-1-ylethyl)-1,2,4-oxadiazole (CID 167947473) is 5-(1-cyclohexylazetidin-3-yl)-3-(1-imidazol-1-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-cyclohexylazetidin-3-yl)-3-(1-imidazol-1-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-cyclohexylazetidin-3-yl)-3-(1-imidazol-1-ylethyl)-1,2,4-oxadiazole is CC(c1noc(C2CN(C3CCCCC3)C2)n1)n1ccnc1.
What is the InChIKey of 5-(1-cyclohexylazetidin-3-yl)-3-(1-imidazol-1-ylethyl)-1,2,4-oxadiazole?
The InChIKey is MXHCBESTLHRQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12(20-8-7-17-11-20)15-18-16(22-19-15)13-9-21(10-13)14-5-3-2-4-6-14/h7-8,11-14H,2-6,9-10H2,1H3.
What are the key properties of 5-(1-cyclohexylazetidin-3-yl)-3-(1-imidazol-1-ylethyl)-1,2,4-oxadiazole?
5-(1-cyclohexylazetidin-3-yl)-3-(1-imidazol-1-ylethyl)-1,2,4-oxadiazole has a molecular weight of 301.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexylazetidin-3-yl)-3-(1-imidazol-1-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167947473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).