methyl 2-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]-2-methoxyiminoacetate

C19H15ClN2O4 — CID 54490398

IUPACmethyl 2-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]-2-methoxyiminoacetate
SMILESCON=C(C(=O)OC)c1ccccc1-c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C19H15ClN2O4/c1-24-19(23)18(22-25-2)15-6-4-3-5-14(15)16-11-17(26-21-16)12-7-9-13(20)10-8-12/h3-11H,1-2H3
InChIKeyXVHUFXZIYYZZGE-UHFFFAOYSA-N
MW370.79 g/mol
LogP4.19
Rot. Bonds5

About methyl 2-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]-2-methoxyiminoacetate

methyl 2-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]-2-methoxyiminoacetate (PubChem CID 54490398) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is methyl 2-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]-2-methoxyiminoacetate.

Molecular Properties

Compound Namemethyl 2-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]-2-methoxyiminoacetate
PubChem CID54490398
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Namemethyl 2-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]-2-methoxyiminoacetate
SMILESCON=C(C(=O)OC)c1ccccc1-c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C19H15ClN2O4/c1-24-19(23)18(22-25-2)15-6-4-3-5-14(15)16-11-17(26-21-16)12-7-9-13(20)10-8-12/h3-11H,1-2H3
InChIKeyXVHUFXZIYYZZGE-UHFFFAOYSA-N
XLogP4.19
TPSA73.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2E)-2-(4-chlorophenyl)-2-methoxyiminoacetate
CID 15416041
2-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide
CID 154291859
methyl (2Z)-2-[2-(2-chlorophenyl)-1,3-benzoxazol-4-yl]-2-methoxyiminoacetate
CID 139676402
3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 67512216
2-chloro-N-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]benzamide
CID 20546757
methyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate
CID 12789637
3-(5-chloro-2-methoxyphenyl)-5-phenyl-1,2-oxazole
CID 150298354
methyl 2-[2-[[[3-(4-chlorophenyl)-3-methoxyiminoprop-1-en-2-yl]amino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 91027398
methyl (2Z)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate
CID 11064561
(2E)-2-[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 45276658
ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
CID 13035537
5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 43843478

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]-2-methoxyiminoacetate?
The IUPAC name of methyl 2-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]-2-methoxyiminoacetate (CID 54490398) is methyl 2-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]-2-methoxyiminoacetate.
What is the SMILES notation for methyl 2-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]-2-methoxyiminoacetate?
The canonical SMILES for methyl 2-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]-2-methoxyiminoacetate is CON=C(C(=O)OC)c1ccccc1-c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of methyl 2-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]-2-methoxyiminoacetate?
The InChIKey is XVHUFXZIYYZZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c1-24-19(23)18(22-25-2)15-6-4-3-5-14(15)16-11-17(26-21-16)12-7-9-13(20)10-8-12/h3-11H,1-2H3.
What are the key properties of methyl 2-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]-2-methoxyiminoacetate?
methyl 2-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]-2-methoxyiminoacetate has a molecular weight of 370.79 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]-2-methoxyiminoacetate is sourced from PubChem (CID 54490398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).