4-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one

C16H10Cl2F2N2O2 — CID 135368870

IUPAC4-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(Cc2c(F)cccc2Cl)n1Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H10Cl2F2N2O2/c17-12-2-1-3-14(20)11(12)7-15-21-24-16(23)22(15)8-9-4-5-10(19)6-13(9)18/h1-6H,7-8H2
InChIKeyILUDSHPFLJAHEE-UHFFFAOYSA-N
MW371.17 g/mol
LogP4.06
Rot. Bonds4

About 4-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one

4-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one (PubChem CID 135368870) has the molecular formula C16H10Cl2F2N2O2 and a molecular weight of 371.17 g/mol. Its IUPAC name is 4-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
PubChem CID135368870
Molecular FormulaC16H10Cl2F2N2O2
Molecular Weight371.17 g/mol
Exact Mass370.01
IUPAC Name4-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(Cc2c(F)cccc2Cl)n1Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H10Cl2F2N2O2/c17-12-2-1-3-14(20)11(12)7-15-21-24-16(23)22(15)8-9-4-5-10(19)6-13(9)18/h1-6H,7-8H2
InChIKeyILUDSHPFLJAHEE-UHFFFAOYSA-N
XLogP4.06
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.17
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Chloro-phenyl)-4-(4-fluoro-benzyl)-4H-[1,2,4]oxadiazol-5-one
CID 1435061
3-[(2-Chloro-6-fluorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one
CID 135368836
3-[(2-Chloro-6-fluorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-thiadiazol-5-one
CID 135368859
3-[(2-Chloro-6-fluorophenyl)methyl]-4-(cycloheptylmethyl)-1,2,4-oxadiazol-5-one
CID 135369013
3-[(2-Chlorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one
CID 135371039
3-[(2-Chloro-6-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-5-one
CID 142465565
3-[(2,4-Dichlorophenyl)methyl]-4-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one
CID 142465585
3-(4-Chlorophenyl)-4-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
CID 1435059
4-(2-Chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxamide
CID 18735297
4-But-2-ynyl-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
CID 135368832
3-[(2-Chloro-6-fluorophenyl)methyl]-4-(cyclohexylmethyl)-1,2,4-thiadiazol-5-one
CID 135368833
4-[(2,3-Dichlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
CID 135368834

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one (CID 135368870) is 4-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one is O=c1onc(Cc2c(F)cccc2Cl)n1Cc1ccc(F)cc1Cl.
What is the InChIKey of 4-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The InChIKey is ILUDSHPFLJAHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F2N2O2/c17-12-2-1-3-14(20)11(12)7-15-21-24-16(23)22(15)8-9-4-5-10(19)6-13(9)18/h1-6H,7-8H2.
What are the key properties of 4-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
4-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one has a molecular weight of 371.17 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135368870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).