5-(2,4-dichlorophenyl)-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole

C18H16Cl2N2O2 — CID 42692306

IUPAC5-(2,4-dichlorophenyl)-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
SMILESCC(C)c1ccc(OCc2noc(-c3ccc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C18H16Cl2N2O2/c1-11(2)12-3-6-14(7-4-12)23-10-17-21-18(24-22-17)15-8-5-13(19)9-16(15)20/h3-9,11H,10H2,1-2H3
InChIKeyVOMLCKCGPURFHR-UHFFFAOYSA-N
MW363.24 g/mol
LogP5.75
Rot. Bonds5

About 5-(2,4-dichlorophenyl)-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole

5-(2,4-dichlorophenyl)-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 42692306) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
PubChem CID42692306
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name5-(2,4-dichlorophenyl)-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
SMILESCC(C)c1ccc(OCc2noc(-c3ccc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C18H16Cl2N2O2/c1-11(2)12-3-6-14(7-4-12)23-10-17-21-18(24-22-17)15-8-5-13(19)9-16(15)20/h3-9,11H,10H2,1-2H3
InChIKeyVOMLCKCGPURFHR-UHFFFAOYSA-N
XLogP5.75
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.24
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N,N-dimethylaniline
CID 42692318
5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692252
5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 42692313
5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 63362147
3-[(4-chloro-3-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 42692336
2-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 42788974
1-[5-chloro-2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethanone
CID 38859705
(1R)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 78930415
(1R)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933139
3-[(4-fluoro-3-methylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole
CID 42880230
3-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 60718376
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-propan-2-yl-1,3-benzoxazole
CID 91678654

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2,4-dichlorophenyl)-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole (CID 42692306) is 5-(2,4-dichlorophenyl)-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole is CC(C)c1ccc(OCc2noc(-c3ccc(Cl)cc3Cl)n2)cc1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is VOMLCKCGPURFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-11(2)12-3-6-14(7-4-12)23-10-17-21-18(24-22-17)15-8-5-13(19)9-16(15)20/h3-9,11H,10H2,1-2H3.
What are the key properties of 5-(2,4-dichlorophenyl)-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole?
5-(2,4-dichlorophenyl)-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 363.24 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 42692306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).