2-[(Z)-1-chloro-2-(3-methoxy-4-propoxyphenyl)ethenyl]-5-(3-methylphenyl)-1,3,4-oxadiazole

C21H21ClN2O3 — CID 9032100

IUPAC2-[(Z)-1-chloro-2-(3-methoxy-4-propoxyphenyl)ethenyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCCCOc1ccc(/C=C(\Cl)c2nnc(-c3cccc(C)c3)o2)cc1OC
InChIInChI=1S/C21H21ClN2O3/c1-4-10-26-18-9-8-15(13-19(18)25-3)12-17(22)21-24-23-20(27-21)16-7-5-6-14(2)11-16/h5-9,11-13H,4,10H2,1-3H3/b17-12-
InChIKeyOXXVINZRGSEBQO-ATVHPVEESA-N
MW384.86 g/mol
LogP5.58
Rot. Bonds7

About 2-[(Z)-1-chloro-2-(3-methoxy-4-propoxyphenyl)ethenyl]-5-(3-methylphenyl)-1,3,4-oxadiazole

2-[(Z)-1-chloro-2-(3-methoxy-4-propoxyphenyl)ethenyl]-5-(3-methylphenyl)-1,3,4-oxadiazole (PubChem CID 9032100) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-(3-methoxy-4-propoxyphenyl)ethenyl]-5-(3-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-(3-methoxy-4-propoxyphenyl)ethenyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
PubChem CID9032100
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name2-[(Z)-1-chloro-2-(3-methoxy-4-propoxyphenyl)ethenyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCCCOc1ccc(/C=C(\Cl)c2nnc(-c3cccc(C)c3)o2)cc1OC
InChIInChI=1S/C21H21ClN2O3/c1-4-10-26-18-9-8-15(13-19(18)25-3)12-17(22)21-24-23-20(27-21)16-7-5-6-14(2)11-16/h5-9,11-13H,4,10H2,1-3H3/b17-12-
InChIKeyOXXVINZRGSEBQO-ATVHPVEESA-N
XLogP5.58
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.86
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]ethenyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 9032189
2-[(Z)-1-chloro-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole
CID 9447328
2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole
CID 9447353
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-(4-propoxyphenyl)ethenyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 9031554
2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 110655620
4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene
CID 22970780
2-[(Z)-1-chloro-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 9031864
2-[(Z)-1-chloro-2-(3-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 9446966
2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 9031366
4-[2-(chloromethyl)-3-methylbut-1-enyl]-1-methoxy-2-propoxybenzene
CID 79334021
2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9027205

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-(3-methoxy-4-propoxyphenyl)ethenyl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(Z)-1-chloro-2-(3-methoxy-4-propoxyphenyl)ethenyl]-5-(3-methylphenyl)-1,3,4-oxadiazole (CID 9032100) is 2-[(Z)-1-chloro-2-(3-methoxy-4-propoxyphenyl)ethenyl]-5-(3-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(Z)-1-chloro-2-(3-methoxy-4-propoxyphenyl)ethenyl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(Z)-1-chloro-2-(3-methoxy-4-propoxyphenyl)ethenyl]-5-(3-methylphenyl)-1,3,4-oxadiazole is CCCOc1ccc(/C=C(\Cl)c2nnc(-c3cccc(C)c3)o2)cc1OC.
What is the InChIKey of 2-[(Z)-1-chloro-2-(3-methoxy-4-propoxyphenyl)ethenyl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is OXXVINZRGSEBQO-ATVHPVEESA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-4-10-26-18-9-8-15(13-19(18)25-3)12-17(22)21-24-23-20(27-21)16-7-5-6-14(2)11-16/h5-9,11-13H,4,10H2,1-3H3/b17-12-.
What are the key properties of 2-[(Z)-1-chloro-2-(3-methoxy-4-propoxyphenyl)ethenyl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
2-[(Z)-1-chloro-2-(3-methoxy-4-propoxyphenyl)ethenyl]-5-(3-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 384.86 g/mol, XLogP of 5.58, 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-propoxyphenyl)ethenyl]-5-(3-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 9032100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).