2-[(1S)-1-(2,5-dichlorophenoxy)ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole

C17H14Cl2N2O2 — CID 7997692

IUPAC2-[(1S)-1-(2,5-dichlorophenoxy)ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc([C@H](C)Oc3cc(Cl)ccc3Cl)o2)c1
InChIInChI=1S/C17H14Cl2N2O2/c1-10-4-3-5-12(8-10)17-21-20-16(23-17)11(2)22-15-9-13(18)6-7-14(15)19/h3-9,11H,1-2H3/t11-/m0/s1
InChIKeyGZFJLVXUXIECTE-NSHDSACASA-N
MW349.22 g/mol
LogP5.49
Rot. Bonds4

About 2-[(1S)-1-(2,5-dichlorophenoxy)ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole

2-[(1S)-1-(2,5-dichlorophenoxy)ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole (PubChem CID 7997692) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-[(1S)-1-(2,5-dichlorophenoxy)ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1S)-1-(2,5-dichlorophenoxy)ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
PubChem CID7997692
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name2-[(1S)-1-(2,5-dichlorophenoxy)ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc([C@H](C)Oc3cc(Cl)ccc3Cl)o2)c1
InChIInChI=1S/C17H14Cl2N2O2/c1-10-4-3-5-12(8-10)17-21-20-16(23-17)11(2)22-15-9-13(18)6-7-14(15)19/h3-9,11H,1-2H3/t11-/m0/s1
InChIKeyGZFJLVXUXIECTE-NSHDSACASA-N
XLogP5.49
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.22
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,4-dibromophenoxy)ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 24670728
2-[(1S)-1-chloroethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 7129414
2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 43913057
1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol
CID 66596920
(4-chlorophenyl)methyl-methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium
CID 8540659
2-[1-(4-chloro-3-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 15090951
1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 6-chloro-2H-chromene-3-carboxylate
CID 18225242
[(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] acetate
CID 44605913
2-[(1R)-1-(2-chloro-4-nitrophenoxy)ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 8642986
2-methoxy-5-methyl-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 40940269
ethyl 4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-4-ium-1-carboxylate
CID 8544399
2-thiophen-2-yl-5-[(1S)-1-(2,4,5-trichlorophenoxy)ethyl]-1,3,4-oxadiazole
CID 7701319

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(2,5-dichlorophenoxy)ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(1S)-1-(2,5-dichlorophenoxy)ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole (CID 7997692) is 2-[(1S)-1-(2,5-dichlorophenoxy)ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1S)-1-(2,5-dichlorophenoxy)ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1S)-1-(2,5-dichlorophenoxy)ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole is Cc1cccc(-c2nnc([C@H](C)Oc3cc(Cl)ccc3Cl)o2)c1.
What is the InChIKey of 2-[(1S)-1-(2,5-dichlorophenoxy)ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is GZFJLVXUXIECTE-NSHDSACASA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-10-4-3-5-12(8-10)17-21-20-16(23-17)11(2)22-15-9-13(18)6-7-14(15)19/h3-9,11H,1-2H3/t11-/m0/s1.
What are the key properties of 2-[(1S)-1-(2,5-dichlorophenoxy)ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
2-[(1S)-1-(2,5-dichlorophenoxy)ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 349.22 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(2,5-dichlorophenoxy)ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 7997692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).