2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-5-phenyl-1,3-oxazole

C19H15Cl2NO3 — CID 8814994

IUPAC2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-5-phenyl-1,3-oxazole
SMILESCOc1cc(/C=C(\Cl)c2ncc(-c3ccccc3)o2)cc(Cl)c1OC
InChIInChI=1S/C19H15Cl2NO3/c1-23-16-10-12(8-14(20)18(16)24-2)9-15(21)19-22-11-17(25-19)13-6-4-3-5-7-13/h3-11H,1-2H3/b15-9-
InChIKeyFCFMLNSBLOQYIN-DHDCSXOGSA-N
MW376.24 g/mol
LogP5.75
Rot. Bonds5

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

2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-5-phenyl-1,3-oxazole (PubChem CID 8814994) has the molecular formula C19H15Cl2NO3 and a molecular weight of 376.24 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-5-phenyl-1,3-oxazole
PubChem CID8814994
Molecular FormulaC19H15Cl2NO3
Molecular Weight376.24 g/mol
Exact Mass375.04
IUPAC Name2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-5-phenyl-1,3-oxazole
SMILESCOc1cc(/C=C(\Cl)c2ncc(-c3ccccc3)o2)cc(Cl)c1OC
InChIInChI=1S/C19H15Cl2NO3/c1-23-16-10-12(8-14(20)18(16)24-2)9-15(21)19-22-11-17(25-19)13-6-4-3-5-7-13/h3-11H,1-2H3/b15-9-
InChIKeyFCFMLNSBLOQYIN-DHDCSXOGSA-N
XLogP5.75
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.24
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole
CID 9036392
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)-1-chloro-2-(3-fluorophenyl)ethenyl]-5-phenyl-1,3-oxazole
CID 8814959
2-chloro-4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-6-methoxyphenol
CID 135574251
2-[(Z)-1-chloro-2-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,3-benzoxazole
CID 9039150
2-[(Z)-1-chloro-2-(3-chloro-4-hydroxy-5-methoxyphenyl)ethenyl]-3,1-benzoxazin-4-one
CID 135574152
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-methylprop-2-enoic acid
CID 170873206
(5-phenyl-1,3-oxazol-2-yl)methyl 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7654456
2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-3-methylbutan-1-ol
CID 79335570
(5-phenyl-1,3-oxazol-2-yl)methyl 3,5-dichloro-4-methoxybenzoate
CID 9125999

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-5-phenyl-1,3-oxazole (CID 8814994) is 2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-5-phenyl-1,3-oxazole is COc1cc(/C=C(\Cl)c2ncc(-c3ccccc3)o2)cc(Cl)c1OC.
What is the InChIKey of 2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-5-phenyl-1,3-oxazole?
The InChIKey is FCFMLNSBLOQYIN-DHDCSXOGSA-N. The full InChI is InChI=1S/C19H15Cl2NO3/c1-23-16-10-12(8-14(20)18(16)24-2)9-15(21)19-22-11-17(25-19)13-6-4-3-5-7-13/h3-11H,1-2H3/b15-9-.
What are the key properties of 2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-5-phenyl-1,3-oxazole?
2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-5-phenyl-1,3-oxazole has a molecular weight of 376.24 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 8814994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).