2-[(Z)-2-(4-chlorophenyl)-1-[4-[(1-methylindazol-3-yl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazole

C25H19ClN4O2 — CID 67124791

IUPAC2-[(Z)-2-(4-chlorophenyl)-1-[4-[(1-methylindazol-3-yl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazole
SMILESCn1nc(COc2ccc(/C(=C/c3ccc(Cl)cc3)c3nnco3)cc2)c2ccccc21
InChIInChI=1S/C25H19ClN4O2/c1-30-24-5-3-2-4-21(24)23(29-30)15-31-20-12-8-18(9-13-20)22(25-28-27-16-32-25)14-17-6-10-19(26)11-7-17/h2-14,16H,15H2,1H3/b22-14-
InChIKeyNVSVXOKGQWYZEK-HMAPJEAMSA-N
MW442.91 g/mol
LogP5.78
Rot. Bonds6

About 2-[(Z)-2-(4-chlorophenyl)-1-[4-[(1-methylindazol-3-yl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazole

2-[(Z)-2-(4-chlorophenyl)-1-[4-[(1-methylindazol-3-yl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazole (PubChem CID 67124791) has the molecular formula C25H19ClN4O2 and a molecular weight of 442.91 g/mol. Its IUPAC name is 2-[(Z)-2-(4-chlorophenyl)-1-[4-[(1-methylindazol-3-yl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(Z)-2-(4-chlorophenyl)-1-[4-[(1-methylindazol-3-yl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazole
PubChem CID67124791
Molecular FormulaC25H19ClN4O2
Molecular Weight442.91 g/mol
Exact Mass442.12
IUPAC Name2-[(Z)-2-(4-chlorophenyl)-1-[4-[(1-methylindazol-3-yl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazole
SMILESCn1nc(COc2ccc(/C(=C/c3ccc(Cl)cc3)c3nnco3)cc2)c2ccccc21
InChIInChI=1S/C25H19ClN4O2/c1-30-24-5-3-2-4-21(24)23(29-30)15-31-20-12-8-18(9-13-20)22(25-28-27-16-32-25)14-17-6-10-19(26)11-7-17/h2-14,16H,15H2,1H3/b22-14-
InChIKeyNVSVXOKGQWYZEK-HMAPJEAMSA-N
XLogP5.78
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.91
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-[(Z)-2-(4-chlorophenyl)-1-[4-[(1-methylindazol-3-yl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[2-(4-chlorophenyl)-1-[4-(pyrazolo[1,5-a]pyrimidin-5-ylmethoxy)phenyl]ethenyl]-1,3,4-oxadiazole
CID 67124775
2-[2-(4-chlorophenyl)-1-[4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-5-methyl-1,3,4-oxadiazole
CID 67124752
2-[2-(4-chlorophenyl)-1-[4-(2-quinolin-2-ylethyl)phenyl]ethenyl]-1,3,4-oxadiazole
CID 67124798
3-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-1-methylindazole
CID 79800388
2-[(Z)-1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-3-ylethenyl]-1,3,4-oxadiazole
CID 54591580
2-[1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-3-ylethenyl]-1,3,4-oxadiazole
CID 67124525
2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine
CID 71776885
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
5-[2-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]-3H-1,3,4-oxadiazol-2-one
CID 67124721
3-fluoro-2-[(1-methylindazol-3-yl)methoxy]benzaldehyde
CID 115955824
3-[(E)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethenyl]-2-methyl-1H-indole
CID 102573293
[3-fluoro-2-[(1-methylindazol-3-yl)methoxy]phenyl]methanamine
CID 115952034

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(4-chlorophenyl)-1-[4-[(1-methylindazol-3-yl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(Z)-2-(4-chlorophenyl)-1-[4-[(1-methylindazol-3-yl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazole (CID 67124791) is 2-[(Z)-2-(4-chlorophenyl)-1-[4-[(1-methylindazol-3-yl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(Z)-2-(4-chlorophenyl)-1-[4-[(1-methylindazol-3-yl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(Z)-2-(4-chlorophenyl)-1-[4-[(1-methylindazol-3-yl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazole is Cn1nc(COc2ccc(/C(=C/c3ccc(Cl)cc3)c3nnco3)cc2)c2ccccc21.
What is the InChIKey of 2-[(Z)-2-(4-chlorophenyl)-1-[4-[(1-methylindazol-3-yl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazole?
The InChIKey is NVSVXOKGQWYZEK-HMAPJEAMSA-N. The full InChI is InChI=1S/C25H19ClN4O2/c1-30-24-5-3-2-4-21(24)23(29-30)15-31-20-12-8-18(9-13-20)22(25-28-27-16-32-25)14-17-6-10-19(26)11-7-17/h2-14,16H,15H2,1H3/b22-14-.
What are the key properties of 2-[(Z)-2-(4-chlorophenyl)-1-[4-[(1-methylindazol-3-yl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazole?
2-[(Z)-2-(4-chlorophenyl)-1-[4-[(1-methylindazol-3-yl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazole has a molecular weight of 442.91 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(4-chlorophenyl)-1-[4-[(1-methylindazol-3-yl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 67124791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).