(2,4-dichlorophenyl)methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate

C16H12Cl2N2O4 — CID 55552958

IUPAC(2,4-dichlorophenyl)methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
SMILESO=C(CCc1nc(-c2ccco2)no1)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2N2O4/c17-11-4-3-10(12(18)8-11)9-23-15(21)6-5-14-19-16(20-24-14)13-2-1-7-22-13/h1-4,7-8H,5-6,9H2
InChIKeyFYJLNUAAUZNVQD-UHFFFAOYSA-N
MW367.19 g/mol
LogP4.31
Rot. Bonds6

About (2,4-dichlorophenyl)methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate

(2,4-dichlorophenyl)methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate (PubChem CID 55552958) has the molecular formula C16H12Cl2N2O4 and a molecular weight of 367.19 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
PubChem CID55552958
Molecular FormulaC16H12Cl2N2O4
Molecular Weight367.19 g/mol
Exact Mass366.02
IUPAC Name(2,4-dichlorophenyl)methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
SMILESO=C(CCc1nc(-c2ccco2)no1)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2N2O4/c17-11-4-3-10(12(18)8-11)9-23-15(21)6-5-14-19-16(20-24-14)13-2-1-7-22-13/h1-4,7-8H,5-6,9H2
InChIKeyFYJLNUAAUZNVQD-UHFFFAOYSA-N
XLogP4.31
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55553287
[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55553407
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55553285
[2-(azocan-1-yl)-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55554287
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55554173
N-(3,4-dichlorophenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 36654595
(7-methoxynaphthalen-2-yl) 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 36808276
N-[(2-chlorophenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 36702512
2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 60541857
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 36656689
(2,6-dichlorophenyl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
CID 4855284
(2,4-dichlorophenyl)methyl 4-(furan-2-carbonylamino)butanoate
CID 55369171

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate?
The IUPAC name of (2,4-dichlorophenyl)methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate (CID 55552958) is (2,4-dichlorophenyl)methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate?
The canonical SMILES for (2,4-dichlorophenyl)methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate is O=C(CCc1nc(-c2ccco2)no1)OCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate?
The InChIKey is FYJLNUAAUZNVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O4/c17-11-4-3-10(12(18)8-11)9-23-15(21)6-5-14-19-16(20-24-14)13-2-1-7-22-13/h1-4,7-8H,5-6,9H2.
What are the key properties of (2,4-dichlorophenyl)methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate?
(2,4-dichlorophenyl)methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate has a molecular weight of 367.19 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate is sourced from PubChem (CID 55552958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).