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

C14H15ClN2O2 — CID 56784939

IUPAC2-[4-(4-chlorophenyl)oxan-4-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C2(c3ccc(Cl)cc3)CCOCC2)o1
InChIInChI=1S/C14H15ClN2O2/c1-10-16-17-13(19-10)14(6-8-18-9-7-14)11-2-4-12(15)5-3-11/h2-5H,6-9H2,1H3
InChIKeyUDEHLAZGDNKZDC-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.13
Rot. Bonds2

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

2-[4-(4-chlorophenyl)oxan-4-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 56784939) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)oxan-4-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)oxan-4-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID56784939
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-[4-(4-chlorophenyl)oxan-4-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C2(c3ccc(Cl)cc3)CCOCC2)o1
InChIInChI=1S/C14H15ClN2O2/c1-10-16-17-13(19-10)14(6-8-18-9-7-14)11-2-4-12(15)5-3-11/h2-5H,6-9H2,1H3
InChIKeyUDEHLAZGDNKZDC-UHFFFAOYSA-N
XLogP3.13
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.13
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-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(4-chlorophenyl)oxan-4-yl]-5-methyl-1,3,4-oxadiazole (CID 56784939) is 2-[4-(4-chlorophenyl)oxan-4-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(4-chlorophenyl)oxan-4-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(4-chlorophenyl)oxan-4-yl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(C2(c3ccc(Cl)cc3)CCOCC2)o1.
What is the InChIKey of 2-[4-(4-chlorophenyl)oxan-4-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is UDEHLAZGDNKZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-10-16-17-13(19-10)14(6-8-18-9-7-14)11-2-4-12(15)5-3-11/h2-5H,6-9H2,1H3.
What are the key properties of 2-[4-(4-chlorophenyl)oxan-4-yl]-5-methyl-1,3,4-oxadiazole?
2-[4-(4-chlorophenyl)oxan-4-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 278.74 g/mol, XLogP of 3.13, 2 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-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 56784939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).