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

C18H13ClN4O5 — CID 55553287

IUPAC[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
SMILESO=C(CCc1nc(-c2ccco2)no1)OCc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H13ClN4O5/c19-12-5-3-11(4-6-12)18-22-21-15(27-18)10-26-16(24)8-7-14-20-17(23-28-14)13-2-1-9-25-13/h1-6,9H,7-8,10H2
InChIKeyISNFXCYDZFQCDQ-UHFFFAOYSA-N
MW400.78 g/mol
LogP3.71
Rot. Bonds7

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

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate (PubChem CID 55553287) has the molecular formula C18H13ClN4O5 and a molecular weight of 400.78 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
PubChem CID55553287
Molecular FormulaC18H13ClN4O5
Molecular Weight400.78 g/mol
Exact Mass400.06
IUPAC Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
SMILESO=C(CCc1nc(-c2ccco2)no1)OCc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H13ClN4O5/c19-12-5-3-11(4-6-12)18-22-21-15(27-18)10-26-16(24)8-7-14-20-17(23-28-14)13-2-1-9-25-13/h1-6,9H,7-8,10H2
InChIKeyISNFXCYDZFQCDQ-UHFFFAOYSA-N
XLogP3.71
TPSA117.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.78
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(2,4-dichlorophenyl)methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55552958
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate
CID 7958020
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-chlorophenyl)sulfanylpropanoate
CID 9139620
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[(4-chlorobenzoyl)amino]propanoate
CID 30518885
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-fluorophenyl)propanoate
CID 8552674
(4-cyanophenyl)methyl 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 8665874
[2-(azocan-1-yl)-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55554287
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(4-chlorophenyl)propanoate
CID 134031490
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(furan-2-yl)prop-2-enoate
CID 2469443
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,3-diphenylpropanoate
CID 16528018
[2-(trifluoromethyl)phenyl]methyl 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 34420566
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615694

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate?
The IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate (CID 55553287) is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate.
What is the SMILES notation for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate?
The canonical SMILES for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate is O=C(CCc1nc(-c2ccco2)no1)OCc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate?
The InChIKey is ISNFXCYDZFQCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O5/c19-12-5-3-11(4-6-12)18-22-21-15(27-18)10-26-16(24)8-7-14-20-17(23-28-14)13-2-1-9-25-13/h1-6,9H,7-8,10H2.
What are the key properties of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate?
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate has a molecular weight of 400.78 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate is sourced from PubChem (CID 55553287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).