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

C19H18N4O3 — CID 19294135

IUPAC[(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate
SMILESCc1ccc(-c2cc(C(=O)O/N=C(\N)c3cccc(N)c3C)no2)cc1
InChIInChI=1S/C19H18N4O3/c1-11-6-8-13(9-7-11)17-10-16(22-25-17)19(24)26-23-18(21)14-4-3-5-15(20)12(14)2/h3-10H,20H2,1-2H3,(H2,21,23)
InChIKeyYTVRLDDAIPMZCS-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.02
Rot. Bonds4

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

[(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate (PubChem CID 19294135) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Name[(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate
PubChem CID19294135
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name[(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate
SMILESCc1ccc(-c2cc(C(=O)O/N=C(\N)c3cccc(N)c3C)no2)cc1
InChIInChI=1S/C19H18N4O3/c1-11-6-8-13(9-7-11)17-10-16(22-25-17)19(24)26-23-18(21)14-4-3-5-15(20)12(14)2/h3-10H,20H2,1-2H3,(H2,21,23)
InChIKeyYTVRLDDAIPMZCS-UHFFFAOYSA-N
XLogP3.02
TPSA116.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate (CID 19294135) is [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate is Cc1ccc(-c2cc(C(=O)O/N=C(\N)c3cccc(N)c3C)no2)cc1.
What is the InChIKey of [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate?
The InChIKey is YTVRLDDAIPMZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-11-6-8-13(9-7-11)17-10-16(22-25-17)19(24)26-23-18(21)14-4-3-5-15(20)12(14)2/h3-10H,20H2,1-2H3,(H2,21,23).
What are the key properties of [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate?
[(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate has a molecular weight of 350.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 19294135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).