3-[(2,4-dichlorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one

C16H16Cl2F2N2O2 — CID 142465585

IUPAC3-[(2,4-dichlorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(Cc2ccc(Cl)cc2Cl)n1CC1CCC(F)(F)CC1
InChIInChI=1S/C16H16Cl2F2N2O2/c17-12-2-1-11(13(18)8-12)7-14-21-24-15(23)22(14)9-10-3-5-16(19,20)6-4-10/h1-2,8,10H,3-7,9H2
InChIKeyBSJOEBCOIWABPA-UHFFFAOYSA-N
MW377.22 g/mol
LogP4.56
Rot. Bonds4

About 3-[(2,4-dichlorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one

3-[(2,4-dichlorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one (PubChem CID 142465585) has the molecular formula C16H16Cl2F2N2O2 and a molecular weight of 377.22 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one
PubChem CID142465585
Molecular FormulaC16H16Cl2F2N2O2
Molecular Weight377.22 g/mol
Exact Mass376.06
IUPAC Name3-[(2,4-dichlorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(Cc2ccc(Cl)cc2Cl)n1CC1CCC(F)(F)CC1
InChIInChI=1S/C16H16Cl2F2N2O2/c17-12-2-1-11(13(18)8-12)7-14-21-24-15(23)22(14)9-10-3-5-16(19,20)6-4-10/h1-2,8,10H,3-7,9H2
InChIKeyBSJOEBCOIWABPA-UHFFFAOYSA-N
XLogP4.56
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.22
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one (CID 142465585) is 3-[(2,4-dichlorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one is O=c1onc(Cc2ccc(Cl)cc2Cl)n1CC1CCC(F)(F)CC1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one?
The InChIKey is BSJOEBCOIWABPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2F2N2O2/c17-12-2-1-11(13(18)8-12)7-14-21-24-15(23)22(14)9-10-3-5-16(19,20)6-4-10/h1-2,8,10H,3-7,9H2.
What are the key properties of 3-[(2,4-dichlorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one?
3-[(2,4-dichlorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one has a molecular weight of 377.22 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 142465585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).