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

C17H19ClN2O2 — CID 56784985

IUPAC2-[4-(4-chlorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole
SMILESCC1CC1c1nnc(C2(c3ccc(Cl)cc3)CCOCC2)o1
InChIInChI=1S/C17H19ClN2O2/c1-11-10-14(11)15-19-20-16(22-15)17(6-8-21-9-7-17)12-2-4-13(18)5-3-12/h2-5,11,14H,6-10H2,1H3
InChIKeyZCJIXCQYTIIGJN-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.94
Rot. Bonds3

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

2-[4-(4-chlorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole (PubChem CID 56784985) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole
PubChem CID56784985
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-[4-(4-chlorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole
SMILESCC1CC1c1nnc(C2(c3ccc(Cl)cc3)CCOCC2)o1
InChIInChI=1S/C17H19ClN2O2/c1-11-10-14(11)15-19-20-16(22-15)17(6-8-21-9-7-17)12-2-4-13(18)5-3-12/h2-5,11,14H,6-10H2,1H3
InChIKeyZCJIXCQYTIIGJN-UHFFFAOYSA-N
XLogP3.94
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(4-chlorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole (CID 56784985) is 2-[4-(4-chlorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(4-chlorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(4-chlorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole is CC1CC1c1nnc(C2(c3ccc(Cl)cc3)CCOCC2)o1.
What is the InChIKey of 2-[4-(4-chlorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole?
The InChIKey is ZCJIXCQYTIIGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-11-10-14(11)15-19-20-16(22-15)17(6-8-21-9-7-17)12-2-4-13(18)5-3-12/h2-5,11,14H,6-10H2,1H3.
What are the key properties of 2-[4-(4-chlorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole?
2-[4-(4-chlorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole has a molecular weight of 318.80 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 56784985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).