2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole

C20H17ClN2O3 — CID 9447353

IUPAC2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole
SMILESC=CCOc1ccc(/C=C(\Cl)c2nnc(-c3ccccc3)o2)cc1OC
InChIInChI=1S/C20H17ClN2O3/c1-3-11-25-17-10-9-14(13-18(17)24-2)12-16(21)20-23-22-19(26-20)15-7-5-4-6-8-15/h3-10,12-13H,1,11H2,2H3/b16-12-
InChIKeyCCBACGNKNMNUFD-VBKFSLOCSA-N
MW368.82 g/mol
LogP5.05
Rot. Bonds7

About 2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole

2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 9447353) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID9447353
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole
SMILESC=CCOc1ccc(/C=C(\Cl)c2nnc(-c3ccccc3)o2)cc1OC
InChIInChI=1S/C20H17ClN2O3/c1-3-11-25-17-10-9-14(13-18(17)24-2)12-16(21)20-23-22-19(26-20)15-7-5-4-6-8-15/h3-10,12-13H,1,11H2,2H3/b16-12-
InChIKeyCCBACGNKNMNUFD-VBKFSLOCSA-N
XLogP5.05
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.82
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-1-chloro-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole
CID 9447328
2-[4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-2-methoxyphenoxy]acetonitrile
CID 9447355
2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-3,1-benzoxazin-4-one
CID 9035122
2-[(Z)-1-chloro-2-(3-methoxy-4-propoxyphenyl)ethenyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 9032100
5-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 9041813
2-[(Z)-1-chloro-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 9031864
4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-N,N-diethylaniline
CID 8727097
2-[(Z)-1-chloro-2-(3-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 9446966
3-(3-methoxy-4-prop-2-enoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334099
2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]ethenyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 9032189
2-methoxy-4-[2-[4-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]-1-prop-2-enoxybenzene
CID 54438729
2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-5-phenyl-1,3-oxazole
CID 8814981

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole (CID 9447353) is 2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole is C=CCOc1ccc(/C=C(\Cl)c2nnc(-c3ccccc3)o2)cc1OC.
What is the InChIKey of 2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is CCBACGNKNMNUFD-VBKFSLOCSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-3-11-25-17-10-9-14(13-18(17)24-2)12-16(21)20-23-22-19(26-20)15-7-5-4-6-8-15/h3-10,12-13H,1,11H2,2H3/b16-12-.
What are the key properties of 2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole?
2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 368.82 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 9447353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).