3-cyclohexyl-5-[[4-(3-methyl-1,2-oxazol-5-yl)cyclohexyl]methyl]-1,2,4-oxadiazole

C19H27N3O2 — CID 155265605

IUPAC3-cyclohexyl-5-[[4-(3-methyl-1,2-oxazol-5-yl)cyclohexyl]methyl]-1,2,4-oxadiazole
SMILESCc1cc(C2CCC(Cc3nc(C4CCCCC4)no3)CC2)on1
InChIInChI=1S/C19H27N3O2/c1-13-11-17(23-21-13)15-9-7-14(8-10-15)12-18-20-19(22-24-18)16-5-3-2-4-6-16/h11,14-16H,2-10,12H2,1H3
InChIKeyFDCUNHPDDOXYDP-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.93
Rot. Bonds4

About 3-cyclohexyl-5-[[4-(3-methyl-1,2-oxazol-5-yl)cyclohexyl]methyl]-1,2,4-oxadiazole

3-cyclohexyl-5-[[4-(3-methyl-1,2-oxazol-5-yl)cyclohexyl]methyl]-1,2,4-oxadiazole (PubChem CID 155265605) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-cyclohexyl-5-[[4-(3-methyl-1,2-oxazol-5-yl)cyclohexyl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclohexyl-5-[[4-(3-methyl-1,2-oxazol-5-yl)cyclohexyl]methyl]-1,2,4-oxadiazole
PubChem CID155265605
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-cyclohexyl-5-[[4-(3-methyl-1,2-oxazol-5-yl)cyclohexyl]methyl]-1,2,4-oxadiazole
SMILESCc1cc(C2CCC(Cc3nc(C4CCCCC4)no3)CC2)on1
InChIInChI=1S/C19H27N3O2/c1-13-11-17(23-21-13)15-9-7-14(8-10-15)12-18-20-19(22-24-18)16-5-3-2-4-6-16/h11,14-16H,2-10,12H2,1H3
InChIKeyFDCUNHPDDOXYDP-UHFFFAOYSA-N
XLogP4.93
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-[[4-(3-methyl-1,2-oxazol-5-yl)cyclohexyl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclohexyl-5-[[4-(3-methyl-1,2-oxazol-5-yl)cyclohexyl]methyl]-1,2,4-oxadiazole (CID 155265605) is 3-cyclohexyl-5-[[4-(3-methyl-1,2-oxazol-5-yl)cyclohexyl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclohexyl-5-[[4-(3-methyl-1,2-oxazol-5-yl)cyclohexyl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclohexyl-5-[[4-(3-methyl-1,2-oxazol-5-yl)cyclohexyl]methyl]-1,2,4-oxadiazole is Cc1cc(C2CCC(Cc3nc(C4CCCCC4)no3)CC2)on1.
What is the InChIKey of 3-cyclohexyl-5-[[4-(3-methyl-1,2-oxazol-5-yl)cyclohexyl]methyl]-1,2,4-oxadiazole?
The InChIKey is FDCUNHPDDOXYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-11-17(23-21-13)15-9-7-14(8-10-15)12-18-20-19(22-24-18)16-5-3-2-4-6-16/h11,14-16H,2-10,12H2,1H3.
What are the key properties of 3-cyclohexyl-5-[[4-(3-methyl-1,2-oxazol-5-yl)cyclohexyl]methyl]-1,2,4-oxadiazole?
3-cyclohexyl-5-[[4-(3-methyl-1,2-oxazol-5-yl)cyclohexyl]methyl]-1,2,4-oxadiazole has a molecular weight of 329.44 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-[[4-(3-methyl-1,2-oxazol-5-yl)cyclohexyl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 155265605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).