4-[(Z)-2-chloro-2-(5-phenyl-1,3-oxazol-2-yl)ethenyl]-2,6-dimethoxyphenol

C19H16ClNO4 — CID 135573709

IUPAC4-[(Z)-2-chloro-2-(5-phenyl-1,3-oxazol-2-yl)ethenyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=C(\Cl)c2ncc(-c3ccccc3)o2)cc(OC)c1O
InChIInChI=1S/C19H16ClNO4/c1-23-15-9-12(10-16(24-2)18(15)22)8-14(20)19-21-11-17(25-19)13-6-4-3-5-7-13/h3-11,22H,1-2H3/b14-8-
InChIKeyVRMISNVYUPGLQH-ZSOIEALJSA-N
MW357.79 g/mol
LogP4.80
Rot. Bonds5

About 4-[(Z)-2-chloro-2-(5-phenyl-1,3-oxazol-2-yl)ethenyl]-2,6-dimethoxyphenol

4-[(Z)-2-chloro-2-(5-phenyl-1,3-oxazol-2-yl)ethenyl]-2,6-dimethoxyphenol (PubChem CID 135573709) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is 4-[(Z)-2-chloro-2-(5-phenyl-1,3-oxazol-2-yl)ethenyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(Z)-2-chloro-2-(5-phenyl-1,3-oxazol-2-yl)ethenyl]-2,6-dimethoxyphenol
PubChem CID135573709
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Name4-[(Z)-2-chloro-2-(5-phenyl-1,3-oxazol-2-yl)ethenyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=C(\Cl)c2ncc(-c3ccccc3)o2)cc(OC)c1O
InChIInChI=1S/C19H16ClNO4/c1-23-15-9-12(10-16(24-2)18(15)22)8-14(20)19-21-11-17(25-19)13-6-4-3-5-7-13/h3-11,22H,1-2H3/b14-8-
InChIKeyVRMISNVYUPGLQH-ZSOIEALJSA-N
XLogP4.80
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(Z)-2-chloro-2-(5-phenyl-1,3-oxazol-2-yl)ethenyl]-2,6-dimethoxyphenol with MolForge

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Related Compounds

2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-5-phenyl-1,3-oxazole
CID 8814994
2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-5-phenyl-1,3-oxazole
CID 8814981
5-(4-chlorophenyl)-2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole
CID 9036392
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-fluoro-6-methoxy-4-(2-phenyl-1,3-oxazol-5-yl)phenol
CID 155620403
5-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038059
2-[(Z)-1-chloro-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole
CID 9447328
2-[(Z)-1-chloro-2-(3-chloro-4-hydroxy-5-methoxyphenyl)ethenyl]-3,1-benzoxazin-4-one
CID 135574152
2-[(Z)-2-(3,4-dimethoxyphenyl)-1-fluoroethenyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 102202954
2-methoxy-5-phenyl-1,3-oxazole
CID 69332700
4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-chloroethenyl]-2,6-dimethoxyphenol
CID 135771332

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-chloro-2-(5-phenyl-1,3-oxazol-2-yl)ethenyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(Z)-2-chloro-2-(5-phenyl-1,3-oxazol-2-yl)ethenyl]-2,6-dimethoxyphenol (CID 135573709) is 4-[(Z)-2-chloro-2-(5-phenyl-1,3-oxazol-2-yl)ethenyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(Z)-2-chloro-2-(5-phenyl-1,3-oxazol-2-yl)ethenyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(Z)-2-chloro-2-(5-phenyl-1,3-oxazol-2-yl)ethenyl]-2,6-dimethoxyphenol is COc1cc(/C=C(\Cl)c2ncc(-c3ccccc3)o2)cc(OC)c1O.
What is the InChIKey of 4-[(Z)-2-chloro-2-(5-phenyl-1,3-oxazol-2-yl)ethenyl]-2,6-dimethoxyphenol?
The InChIKey is VRMISNVYUPGLQH-ZSOIEALJSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-23-15-9-12(10-16(24-2)18(15)22)8-14(20)19-21-11-17(25-19)13-6-4-3-5-7-13/h3-11,22H,1-2H3/b14-8-.
What are the key properties of 4-[(Z)-2-chloro-2-(5-phenyl-1,3-oxazol-2-yl)ethenyl]-2,6-dimethoxyphenol?
4-[(Z)-2-chloro-2-(5-phenyl-1,3-oxazol-2-yl)ethenyl]-2,6-dimethoxyphenol has a molecular weight of 357.79 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-chloro-2-(5-phenyl-1,3-oxazol-2-yl)ethenyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 135573709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).