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

C18H18ClN3O2 — CID 877608

IUPAC5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-cyclohexyl-1,2,4-oxadiazole
SMILESCc1onc(-c2ccccc2Cl)c1-c1nc(C2CCCCC2)no1
InChIInChI=1S/C18H18ClN3O2/c1-11-15(16(21-23-11)13-9-5-6-10-14(13)19)18-20-17(22-24-18)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKeyBHTUWQZUISALLX-UHFFFAOYSA-N
MW343.81 g/mol
LogP5.40
Rot. Bonds3

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

5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-cyclohexyl-1,2,4-oxadiazole (PubChem CID 877608) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-cyclohexyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-cyclohexyl-1,2,4-oxadiazole
PubChem CID877608
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-cyclohexyl-1,2,4-oxadiazole
SMILESCc1onc(-c2ccccc2Cl)c1-c1nc(C2CCCCC2)no1
InChIInChI=1S/C18H18ClN3O2/c1-11-15(16(21-23-11)13-9-5-6-10-14(13)19)18-20-17(22-24-18)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKeyBHTUWQZUISALLX-UHFFFAOYSA-N
XLogP5.40
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.81
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-cyclohexyl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-cyclohexyl-1,2,4-oxadiazole (CID 877608) is 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-cyclohexyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-cyclohexyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-cyclohexyl-1,2,4-oxadiazole is Cc1onc(-c2ccccc2Cl)c1-c1nc(C2CCCCC2)no1.
What is the InChIKey of 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-cyclohexyl-1,2,4-oxadiazole?
The InChIKey is BHTUWQZUISALLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-11-15(16(21-23-11)13-9-5-6-10-14(13)19)18-20-17(22-24-18)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3.
What are the key properties of 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-cyclohexyl-1,2,4-oxadiazole?
5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-cyclohexyl-1,2,4-oxadiazole has a molecular weight of 343.81 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-cyclohexyl-1,2,4-oxadiazole is sourced from PubChem (CID 877608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).