[(Z)-[amino(1,2-oxazol-5-yl)methylidene]amino] 4-chlorobenzoate

C11H8ClN3O3 — CID 6183643

IUPAC[(Z)-[amino(1,2-oxazol-5-yl)methylidene]amino] 4-chlorobenzoate
SMILESN/C(=N\OC(=O)c1ccc(Cl)cc1)c1ccno1
InChIInChI=1S/C11H8ClN3O3/c12-8-3-1-7(2-4-8)11(16)18-15-10(13)9-5-6-14-17-9/h1-6H,(H2,13,15)
InChIKeyINUNELXUMOMTIP-UHFFFAOYSA-N
MW265.66 g/mol
LogP1.81
Rot. Bonds3

About [(Z)-[amino(1,2-oxazol-5-yl)methylidene]amino] 4-chlorobenzoate

[(Z)-[amino(1,2-oxazol-5-yl)methylidene]amino] 4-chlorobenzoate (PubChem CID 6183643) has the molecular formula C11H8ClN3O3 and a molecular weight of 265.66 g/mol. Its IUPAC name is [(Z)-[amino(1,2-oxazol-5-yl)methylidene]amino] 4-chlorobenzoate.

Molecular Properties

Compound Name[(Z)-[amino(1,2-oxazol-5-yl)methylidene]amino] 4-chlorobenzoate
PubChem CID6183643
Molecular FormulaC11H8ClN3O3
Molecular Weight265.66 g/mol
Exact Mass265.03
IUPAC Name[(Z)-[amino(1,2-oxazol-5-yl)methylidene]amino] 4-chlorobenzoate
SMILESN/C(=N\OC(=O)c1ccc(Cl)cc1)c1ccno1
InChIInChI=1S/C11H8ClN3O3/c12-8-3-1-7(2-4-8)11(16)18-15-10(13)9-5-6-14-17-9/h1-6H,(H2,13,15)
InChIKeyINUNELXUMOMTIP-UHFFFAOYSA-N
XLogP1.81
TPSA90.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate
CID 19292058
[[amino(1H-pyrazol-5-yl)methylidene]amino] 4-chlorobenzoate
CID 2744386
[[amino-(4-chlorophenyl)methylidene]amino] 4-iodobenzoate
CID 2890265
[(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate
CID 5372333
[[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate
CID 2869302
[[amino-[4-[(3,5-dichloro-4-pyridinyl)oxy]phenyl]methylidene]amino] 4-chlorobenzoate
CID 2746727
[[amino-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]methylidene]amino] 4-chlorobenzoate
CID 2821466
[[amino-(4-chlorophenyl)methylidene]amino] furan-2-carboxylate
CID 2276422
[1-(4-fluorophenyl)ethylideneamino] 4-chlorobenzoate
CID 2803461
[[amino-(4-chlorophenyl)methylidene]amino] naphthalene-2-carboxylate
CID 2903183
[(E)-[amino-(5-nitro-1,3-thiazol-2-yl)methylidene]amino] 4-chlorobenzoate
CID 6375789
[[amino-[4-(N'-benzoyloxycarbamimidoyl)phenyl]methylidene]amino] benzoate
CID 58767880

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino(1,2-oxazol-5-yl)methylidene]amino] 4-chlorobenzoate?
The IUPAC name of [(Z)-[amino(1,2-oxazol-5-yl)methylidene]amino] 4-chlorobenzoate (CID 6183643) is [(Z)-[amino(1,2-oxazol-5-yl)methylidene]amino] 4-chlorobenzoate.
What is the SMILES notation for [(Z)-[amino(1,2-oxazol-5-yl)methylidene]amino] 4-chlorobenzoate?
The canonical SMILES for [(Z)-[amino(1,2-oxazol-5-yl)methylidene]amino] 4-chlorobenzoate is N/C(=N\OC(=O)c1ccc(Cl)cc1)c1ccno1.
What is the InChIKey of [(Z)-[amino(1,2-oxazol-5-yl)methylidene]amino] 4-chlorobenzoate?
The InChIKey is INUNELXUMOMTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3/c12-8-3-1-7(2-4-8)11(16)18-15-10(13)9-5-6-14-17-9/h1-6H,(H2,13,15).
What are the key properties of [(Z)-[amino(1,2-oxazol-5-yl)methylidene]amino] 4-chlorobenzoate?
[(Z)-[amino(1,2-oxazol-5-yl)methylidene]amino] 4-chlorobenzoate has a molecular weight of 265.66 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino(1,2-oxazol-5-yl)methylidene]amino] 4-chlorobenzoate is sourced from PubChem (CID 6183643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).