5-cyclohexyl-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole

C14H19N3O2 — CID 139002647

IUPAC5-cyclohexyl-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole
SMILESCCCc1nc(-c2noc(C3CCCCC3)n2)co1
InChIInChI=1S/C14H19N3O2/c1-2-6-12-15-11(9-18-12)13-16-14(19-17-13)10-7-4-3-5-8-10/h9-10H,2-8H2,1H3
InChIKeyGCPFZUHHDRUGNR-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.72
Rot. Bonds4

About 5-cyclohexyl-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole

5-cyclohexyl-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole (PubChem CID 139002647) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-cyclohexyl-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclohexyl-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole
PubChem CID139002647
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-cyclohexyl-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole
SMILESCCCc1nc(-c2noc(C3CCCCC3)n2)co1
InChIInChI=1S/C14H19N3O2/c1-2-6-12-15-11(9-18-12)13-16-14(19-17-13)10-7-4-3-5-8-10/h9-10H,2-8H2,1H3
InChIKeyGCPFZUHHDRUGNR-UHFFFAOYSA-N
XLogP3.72
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclohexyl-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole (CID 139002647) is 5-cyclohexyl-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclohexyl-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclohexyl-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole is CCCc1nc(-c2noc(C3CCCCC3)n2)co1.
What is the InChIKey of 5-cyclohexyl-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is GCPFZUHHDRUGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-6-12-15-11(9-18-12)13-16-14(19-17-13)10-7-4-3-5-8-10/h9-10H,2-8H2,1H3.
What are the key properties of 5-cyclohexyl-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole?
5-cyclohexyl-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 261.32 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 139002647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).