1-[5-[(4-chloro-2-methylphenoxy)methyl]-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone

C16H15ClN2O4 — CID 20930161

IUPAC1-[5-[(4-chloro-2-methylphenoxy)methyl]-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(COc2ccc(Cl)cc2C)OC1c1ccco1
InChIInChI=1S/C16H15ClN2O4/c1-10-8-12(17)5-6-13(10)22-9-15-18-19(11(2)20)16(23-15)14-4-3-7-21-14/h3-8,16H,9H2,1-2H3
InChIKeyGSGGEQGBXGYOBL-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.51
Rot. Bonds4

About 1-[5-[(4-chloro-2-methylphenoxy)methyl]-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone

1-[5-[(4-chloro-2-methylphenoxy)methyl]-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 20930161) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is 1-[5-[(4-chloro-2-methylphenoxy)methyl]-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(4-chloro-2-methylphenoxy)methyl]-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID20930161
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name1-[5-[(4-chloro-2-methylphenoxy)methyl]-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(COc2ccc(Cl)cc2C)OC1c1ccco1
InChIInChI=1S/C16H15ClN2O4/c1-10-8-12(17)5-6-13(10)22-9-15-18-19(11(2)20)16(23-15)14-4-3-7-21-14/h3-8,16H,9H2,1-2H3
InChIKeyGSGGEQGBXGYOBL-UHFFFAOYSA-N
XLogP3.51
TPSA64.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-chloro-2-methylphenoxy)methyl]-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[5-[(4-chloro-2-methylphenoxy)methyl]-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 20930161) is 1-[5-[(4-chloro-2-methylphenoxy)methyl]-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-[(4-chloro-2-methylphenoxy)methyl]-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[5-[(4-chloro-2-methylphenoxy)methyl]-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(COc2ccc(Cl)cc2C)OC1c1ccco1.
What is the InChIKey of 1-[5-[(4-chloro-2-methylphenoxy)methyl]-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is GSGGEQGBXGYOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-10-8-12(17)5-6-13(10)22-9-15-18-19(11(2)20)16(23-15)14-4-3-7-21-14/h3-8,16H,9H2,1-2H3.
What are the key properties of 1-[5-[(4-chloro-2-methylphenoxy)methyl]-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[5-[(4-chloro-2-methylphenoxy)methyl]-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 334.76 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-chloro-2-methylphenoxy)methyl]-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 20930161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).