methyl 2-[(E)-2-(5-chloro-3-phenyl-1,2-oxazol-4-yl)ethenyl]-6-methoxybenzoate

C20H16ClNO4 — CID 46735412

IUPACmethyl 2-[(E)-2-(5-chloro-3-phenyl-1,2-oxazol-4-yl)ethenyl]-6-methoxybenzoate
SMILESCOC(=O)c1c(/C=C/c2c(-c3ccccc3)noc2Cl)cccc1OC
InChIInChI=1S/C20H16ClNO4/c1-24-16-10-6-9-13(17(16)20(23)25-2)11-12-15-18(22-26-19(15)21)14-7-4-3-5-8-14/h3-12H,1-2H3/b12-11+
InChIKeyZHSNWIQABAMIIO-VAWYXSNFSA-N
MW369.80 g/mol
LogP4.96
Rot. Bonds5

About methyl 2-[(E)-2-(5-chloro-3-phenyl-1,2-oxazol-4-yl)ethenyl]-6-methoxybenzoate

methyl 2-[(E)-2-(5-chloro-3-phenyl-1,2-oxazol-4-yl)ethenyl]-6-methoxybenzoate (PubChem CID 46735412) has the molecular formula C20H16ClNO4 and a molecular weight of 369.80 g/mol. Its IUPAC name is methyl 2-[(E)-2-(5-chloro-3-phenyl-1,2-oxazol-4-yl)ethenyl]-6-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(E)-2-(5-chloro-3-phenyl-1,2-oxazol-4-yl)ethenyl]-6-methoxybenzoate
PubChem CID46735412
Molecular FormulaC20H16ClNO4
Molecular Weight369.80 g/mol
Exact Mass369.08
IUPAC Namemethyl 2-[(E)-2-(5-chloro-3-phenyl-1,2-oxazol-4-yl)ethenyl]-6-methoxybenzoate
SMILESCOC(=O)c1c(/C=C/c2c(-c3ccccc3)noc2Cl)cccc1OC
InChIInChI=1S/C20H16ClNO4/c1-24-16-10-6-9-13(17(16)20(23)25-2)11-12-15-18(22-26-19(15)21)14-7-4-3-5-8-14/h3-12H,1-2H3/b12-11+
InChIKeyZHSNWIQABAMIIO-VAWYXSNFSA-N
XLogP4.96
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.80
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 2-formyl-6-methoxybenzoate
CID 12730360
methyl 5-bromo-3-phenyl-1,2-oxazole-4-carboxylate
CID 131453089
methyl 5-[3,5-bis(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 71829962
methyl 2-methoxy-6-(2-thiophen-2-ylethenyl)benzoate
CID 75210644
methyl 5-methoxy-3-methyl-2-phenylquinoline-4-carboxylate
CID 141038832
methyl 5-phenacyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 59608754
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1246987
N-(4-benzamido-2,5-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4035608
methyl 2-methoxy-6-[(E)-6-phenylhex-1-enyl]benzoate
CID 46735447
N-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2366225
2,6-dimethoxy-N-(4-phenyl-1,2-oxazol-5-yl)benzamide
CID 110402062
methyl 2-[(E)-2-(2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]-6-methoxybenzoate
CID 46735402

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(E)-2-(5-chloro-3-phenyl-1,2-oxazol-4-yl)ethenyl]-6-methoxybenzoate?
The IUPAC name of methyl 2-[(E)-2-(5-chloro-3-phenyl-1,2-oxazol-4-yl)ethenyl]-6-methoxybenzoate (CID 46735412) is methyl 2-[(E)-2-(5-chloro-3-phenyl-1,2-oxazol-4-yl)ethenyl]-6-methoxybenzoate.
What is the SMILES notation for methyl 2-[(E)-2-(5-chloro-3-phenyl-1,2-oxazol-4-yl)ethenyl]-6-methoxybenzoate?
The canonical SMILES for methyl 2-[(E)-2-(5-chloro-3-phenyl-1,2-oxazol-4-yl)ethenyl]-6-methoxybenzoate is COC(=O)c1c(/C=C/c2c(-c3ccccc3)noc2Cl)cccc1OC.
What is the InChIKey of methyl 2-[(E)-2-(5-chloro-3-phenyl-1,2-oxazol-4-yl)ethenyl]-6-methoxybenzoate?
The InChIKey is ZHSNWIQABAMIIO-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H16ClNO4/c1-24-16-10-6-9-13(17(16)20(23)25-2)11-12-15-18(22-26-19(15)21)14-7-4-3-5-8-14/h3-12H,1-2H3/b12-11+.
What are the key properties of methyl 2-[(E)-2-(5-chloro-3-phenyl-1,2-oxazol-4-yl)ethenyl]-6-methoxybenzoate?
methyl 2-[(E)-2-(5-chloro-3-phenyl-1,2-oxazol-4-yl)ethenyl]-6-methoxybenzoate has a molecular weight of 369.80 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-2-(5-chloro-3-phenyl-1,2-oxazol-4-yl)ethenyl]-6-methoxybenzoate is sourced from PubChem (CID 46735412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).