5-(4-chlorophenyl)-2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole

C20H17Cl2NO4 — CID 9036392

IUPAC5-(4-chlorophenyl)-2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole
SMILESCOc1cc(/C=C(\Cl)c2ncc(-c3ccc(Cl)cc3)o2)cc(OC)c1OC
InChIInChI=1S/C20H17Cl2NO4/c1-24-16-9-12(10-17(25-2)19(16)26-3)8-15(22)20-23-11-18(27-20)13-4-6-14(21)7-5-13/h4-11H,1-3H3/b15-8-
InChIKeyCEJYNUQEZMOTBL-NVNXTCNLSA-N
MW406.27 g/mol
LogP5.76
Rot. Bonds6

About 5-(4-chlorophenyl)-2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole

5-(4-chlorophenyl)-2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole (PubChem CID 9036392) has the molecular formula C20H17Cl2NO4 and a molecular weight of 406.27 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole
PubChem CID9036392
Molecular FormulaC20H17Cl2NO4
Molecular Weight406.27 g/mol
Exact Mass405.05
IUPAC Name5-(4-chlorophenyl)-2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole
SMILESCOc1cc(/C=C(\Cl)c2ncc(-c3ccc(Cl)cc3)o2)cc(OC)c1OC
InChIInChI=1S/C20H17Cl2NO4/c1-24-16-9-12(10-17(25-2)19(16)26-3)8-15(22)20-23-11-18(27-20)13-4-6-14(21)7-5-13/h4-11H,1-3H3/b15-8-
InChIKeyCEJYNUQEZMOTBL-NVNXTCNLSA-N
XLogP5.76
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.27
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-5-phenyl-1,3-oxazole
CID 8814994
4-[(Z)-2-chloro-2-(5-phenyl-1,3-oxazol-2-yl)ethenyl]-2,6-dimethoxyphenol
CID 135573709
2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-5-phenyl-1,3-oxazole
CID 8814981
5-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038059
2-[(Z)-2-(3,4-dimethoxyphenyl)-1-fluoroethenyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 102202954
2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 9031366
2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-5-phenyl-1,3-oxazole
CID 8814959
5-(4-chlorophenyl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole
CID 9354227
5-(4-methoxy-3-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049724
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide
CID 16866743
5-(4-chlorophenyl)-N,N-dimethyl-1,3-oxazol-2-amine
CID 13332314
4-[(Z)-2-chloro-2-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]benzonitrile
CID 9031386

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole?
The IUPAC name of 5-(4-chlorophenyl)-2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole (CID 9036392) is 5-(4-chlorophenyl)-2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole is COc1cc(/C=C(\Cl)c2ncc(-c3ccc(Cl)cc3)o2)cc(OC)c1OC.
What is the InChIKey of 5-(4-chlorophenyl)-2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole?
The InChIKey is CEJYNUQEZMOTBL-NVNXTCNLSA-N. The full InChI is InChI=1S/C20H17Cl2NO4/c1-24-16-9-12(10-17(25-2)19(16)26-3)8-15(22)20-23-11-18(27-20)13-4-6-14(21)7-5-13/h4-11H,1-3H3/b15-8-.
What are the key properties of 5-(4-chlorophenyl)-2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole?
5-(4-chlorophenyl)-2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole has a molecular weight of 406.27 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole is sourced from PubChem (CID 9036392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).