2-[4-(2-chlorophenyl)oxan-4-yl]-5-ethyl-1,3,4-oxadiazole

C15H17ClN2O2 — CID 56784946

IUPAC2-[4-(2-chlorophenyl)oxan-4-yl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(C2(c3ccccc3Cl)CCOCC2)o1
InChIInChI=1S/C15H17ClN2O2/c1-2-13-17-18-14(20-13)15(7-9-19-10-8-15)11-5-3-4-6-12(11)16/h3-6H,2,7-10H2,1H3
InChIKeyFUGJCQMUTNNHQN-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.38
Rot. Bonds3

About 2-[4-(2-chlorophenyl)oxan-4-yl]-5-ethyl-1,3,4-oxadiazole

2-[4-(2-chlorophenyl)oxan-4-yl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 56784946) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)oxan-4-yl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)oxan-4-yl]-5-ethyl-1,3,4-oxadiazole
PubChem CID56784946
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-[4-(2-chlorophenyl)oxan-4-yl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(C2(c3ccccc3Cl)CCOCC2)o1
InChIInChI=1S/C15H17ClN2O2/c1-2-13-17-18-14(20-13)15(7-9-19-10-8-15)11-5-3-4-6-12(11)16/h3-6H,2,7-10H2,1H3
InChIKeyFUGJCQMUTNNHQN-UHFFFAOYSA-N
XLogP3.38
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)oxan-4-yl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(2-chlorophenyl)oxan-4-yl]-5-ethyl-1,3,4-oxadiazole (CID 56784946) is 2-[4-(2-chlorophenyl)oxan-4-yl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(2-chlorophenyl)oxan-4-yl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(2-chlorophenyl)oxan-4-yl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(C2(c3ccccc3Cl)CCOCC2)o1.
What is the InChIKey of 2-[4-(2-chlorophenyl)oxan-4-yl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is FUGJCQMUTNNHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-2-13-17-18-14(20-13)15(7-9-19-10-8-15)11-5-3-4-6-12(11)16/h3-6H,2,7-10H2,1H3.
What are the key properties of 2-[4-(2-chlorophenyl)oxan-4-yl]-5-ethyl-1,3,4-oxadiazole?
2-[4-(2-chlorophenyl)oxan-4-yl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 292.77 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)oxan-4-yl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 56784946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).