2-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole

C18H15ClN2O5 — CID 9040673

IUPAC2-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
SMILESCOc1cc(/C=C(\Cl)c2nnc(-c3cc(C)oc3C)o2)cc2c1OCO2
InChIInChI=1S/C18H15ClN2O5/c1-9-4-12(10(2)25-9)17-20-21-18(26-17)13(19)5-11-6-14(22-3)16-15(7-11)23-8-24-16/h4-7H,8H2,1-3H3/b13-5-
InChIKeyQAMPMCLXXOVFSY-ACAGNQJTSA-N
MW374.78 g/mol
LogP4.42
Rot. Bonds4

About 2-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole

2-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole (PubChem CID 9040673) has the molecular formula C18H15ClN2O5 and a molecular weight of 374.78 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
PubChem CID9040673
Molecular FormulaC18H15ClN2O5
Molecular Weight374.78 g/mol
Exact Mass374.07
IUPAC Name2-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
SMILESCOc1cc(/C=C(\Cl)c2nnc(-c3cc(C)oc3C)o2)cc2c1OCO2
InChIInChI=1S/C18H15ClN2O5/c1-9-4-12(10(2)25-9)17-20-21-18(26-17)13(19)5-11-6-14(22-3)16-15(7-11)23-8-24-16/h4-7H,8H2,1-3H3/b13-5-
InChIKeyQAMPMCLXXOVFSY-ACAGNQJTSA-N
XLogP4.42
TPSA79.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(Z)-1-chloro-2-(4-ethylphenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
CID 9040450
2-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
CID 9040318
5-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 9035696
2-methoxy-5-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]benzene-1,3-diol
CID 71459992
(E)-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-oxobut-3-enoic acid
CID 103200055
(E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-nitroprop-2-enal
CID 44603911
(E)-1-(3,4-dimethylphenyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-en-1-one
CID 8858255
2-methoxy-5-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]aniline
CID 6311286
(E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 10880337
(E)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoic acid;pyrrolidine
CID 155093301
(E)-2-bromo-1-[3-(dimethylamino)-4-methoxyphenyl]-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-en-1-one
CID 87978749
(E)-2-(3-fluorophenyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile
CID 126397304

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole (CID 9040673) is 2-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole is COc1cc(/C=C(\Cl)c2nnc(-c3cc(C)oc3C)o2)cc2c1OCO2.
What is the InChIKey of 2-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole?
The InChIKey is QAMPMCLXXOVFSY-ACAGNQJTSA-N. The full InChI is InChI=1S/C18H15ClN2O5/c1-9-4-12(10(2)25-9)17-20-21-18(26-17)13(19)5-11-6-14(22-3)16-15(7-11)23-8-24-16/h4-7H,8H2,1-3H3/b13-5-.
What are the key properties of 2-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole?
2-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole has a molecular weight of 374.78 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 9040673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).