(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate

C20H18N2O5 — CID 8925967

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
SMILESCOc1ccc(/C=N\OCC(=O)OCc2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C20H18N2O5/c1-24-17-9-7-15(8-10-17)11-22-26-14-20(23)25-13-19-21-12-18(27-19)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3/b22-11-
InChIKeyPBWDHLSKYGHIAJ-JJFYIABZSA-N
MW366.37 g/mol
LogP3.44
Rot. Bonds8

About (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate

(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate (PubChem CID 8925967) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
PubChem CID8925967
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
SMILESCOc1ccc(/C=N\OCC(=O)OCc2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C20H18N2O5/c1-24-17-9-7-15(8-10-17)11-22-26-14-20(23)25-13-19-21-12-18(27-19)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3/b22-11-
InChIKeyPBWDHLSKYGHIAJ-JJFYIABZSA-N
XLogP3.44
TPSA83.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole
CID 24961512
phenacyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8926169
(2,6-dichlorophenyl)methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8926002
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 35519072
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8521648
[2-(N-methylanilino)-2-oxoethyl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 42901512
(5-phenyl-1,3-oxazol-2-yl)methyl 2-(3-acetylphenoxy)acetate
CID 8526254
(5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-methoxybenzoate
CID 8509326
4-methoxy-2-[(5-phenyl-1,3-oxazol-2-yl)methoxy]benzamide
CID 47004427
(Z)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-1-phenylmethanimine
CID 9353710
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-fluorophenyl)prop-2-enoate
CID 8663862
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate
CID 7971823

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate (CID 8925967) is (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate is COc1ccc(/C=N\OCC(=O)OCc2ncc(-c3ccccc3)o2)cc1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate?
The InChIKey is PBWDHLSKYGHIAJ-JJFYIABZSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-24-17-9-7-15(8-10-17)11-22-26-14-20(23)25-13-19-21-12-18(27-19)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3/b22-11-.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate?
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate has a molecular weight of 366.37 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate is sourced from PubChem (CID 8925967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).