[(Z)-[amino-(3-methoxyphenyl)methylidene]amino] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

C19H16ClN3O4 — CID 118060531

IUPAC[(Z)-[amino-(3-methoxyphenyl)methylidene]amino] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCOc1cccc(/C(N)=N/OC(=O)c2c(-c3ccccc3Cl)noc2C)c1
InChIInChI=1S/C19H16ClN3O4/c1-11-16(17(22-26-11)14-8-3-4-9-15(14)20)19(24)27-23-18(21)12-6-5-7-13(10-12)25-2/h3-10H,1-2H3,(H2,21,23)
InChIKeyJNDQGKLPKUVKND-UHFFFAOYSA-N
MW385.81 g/mol
LogP3.79
Rot. Bonds5

About [(Z)-[amino-(3-methoxyphenyl)methylidene]amino] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

[(Z)-[amino-(3-methoxyphenyl)methylidene]amino] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 118060531) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is [(Z)-[amino-(3-methoxyphenyl)methylidene]amino] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[(Z)-[amino-(3-methoxyphenyl)methylidene]amino] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID118060531
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC Name[(Z)-[amino-(3-methoxyphenyl)methylidene]amino] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCOc1cccc(/C(N)=N/OC(=O)c2c(-c3ccccc3Cl)noc2C)c1
InChIInChI=1S/C19H16ClN3O4/c1-11-16(17(22-26-11)14-8-3-4-9-15(14)20)19(24)27-23-18(21)12-6-5-7-13(10-12)25-2/h3-10H,1-2H3,(H2,21,23)
InChIKeyJNDQGKLPKUVKND-UHFFFAOYSA-N
XLogP3.79
TPSA99.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[amino(pyridin-3-yl)methylidene]amino] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 177377248
methoxymethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 9114662
[(E)-[amino-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylidene]amino] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 6293797
[(Z)-[amino-(6-methyl-3-pyridinyl)methylidene]amino] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 177377247
phenacyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 1016479
3-(2-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805759
[[amino-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methylidene]amino] 2-chloroacetate
CID 2781697
[2-(3-methylsulfanylanilino)-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7377059
[(E)-[amino-(3-methoxyphenyl)methylidene]amino] 2-methylsulfanylbenzoate
CID 8795644
3-(2-chlorophenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 2803712
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]but-3-en-1-one
CID 11032674
[1-carbamoyl-4-(dimethylamino)-4-phenylcyclohexyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 90971097

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(3-methoxyphenyl)methylidene]amino] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [(Z)-[amino-(3-methoxyphenyl)methylidene]amino] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (CID 118060531) is [(Z)-[amino-(3-methoxyphenyl)methylidene]amino] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [(Z)-[amino-(3-methoxyphenyl)methylidene]amino] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [(Z)-[amino-(3-methoxyphenyl)methylidene]amino] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is COc1cccc(/C(N)=N/OC(=O)c2c(-c3ccccc3Cl)noc2C)c1.
What is the InChIKey of [(Z)-[amino-(3-methoxyphenyl)methylidene]amino] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is JNDQGKLPKUVKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c1-11-16(17(22-26-11)14-8-3-4-9-15(14)20)19(24)27-23-18(21)12-6-5-7-13(10-12)25-2/h3-10H,1-2H3,(H2,21,23).
What are the key properties of [(Z)-[amino-(3-methoxyphenyl)methylidene]amino] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
[(Z)-[amino-(3-methoxyphenyl)methylidene]amino] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 385.81 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(3-methoxyphenyl)methylidene]amino] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 118060531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).