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

C15H17ClN2O3 — CID 154748306

IUPAC5-[4-(2-chlorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(C2(c3ccccc3Cl)CCOCC2)n1
InChIInChI=1S/C15H17ClN2O3/c1-19-10-13-17-14(21-18-13)15(6-8-20-9-7-15)11-4-2-3-5-12(11)16/h2-5H,6-10H2,1H3
InChIKeyIRJKSZXFRDJEJP-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.97
Rot. Bonds4

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

5-[4-(2-chlorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 154748306) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is 5-[4-(2-chlorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(2-chlorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID154748306
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name5-[4-(2-chlorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(C2(c3ccccc3Cl)CCOCC2)n1
InChIInChI=1S/C15H17ClN2O3/c1-19-10-13-17-14(21-18-13)15(6-8-20-9-7-15)11-4-2-3-5-12(11)16/h2-5H,6-10H2,1H3
InChIKeyIRJKSZXFRDJEJP-UHFFFAOYSA-N
XLogP2.97
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-chlorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(2-chlorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole (CID 154748306) is 5-[4-(2-chlorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(2-chlorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(2-chlorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole is COCc1noc(C2(c3ccccc3Cl)CCOCC2)n1.
What is the InChIKey of 5-[4-(2-chlorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is IRJKSZXFRDJEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-19-10-13-17-14(21-18-13)15(6-8-20-9-7-15)11-4-2-3-5-12(11)16/h2-5H,6-10H2,1H3.
What are the key properties of 5-[4-(2-chlorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole?
5-[4-(2-chlorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 308.77 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-chlorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 154748306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).