(1,3-diphenylpropan-2-ylideneamino) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

C26H22N2O3 — CID 2803466

IUPAC(1,3-diphenylpropan-2-ylideneamino) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2)c1C(=O)ON=C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H22N2O3/c1-19-24(25(28-30-19)22-15-9-4-10-16-22)26(29)31-27-23(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16H,17-18H2,1H3
InChIKeyPJUWQHQHWGDBHU-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.65
Rot. Bonds7

About (1,3-diphenylpropan-2-ylideneamino) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

(1,3-diphenylpropan-2-ylideneamino) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 2803466) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is (1,3-diphenylpropan-2-ylideneamino) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name(1,3-diphenylpropan-2-ylideneamino) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID2803466
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name(1,3-diphenylpropan-2-ylideneamino) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2)c1C(=O)ON=C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H22N2O3/c1-19-24(25(28-30-19)22-15-9-4-10-16-22)26(29)31-27-23(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16H,17-18H2,1H3
InChIKeyPJUWQHQHWGDBHU-UHFFFAOYSA-N
XLogP5.65
TPSA64.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 10753766
2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 42977015
5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 35365084
N'-[2-(4-chlorophenyl)acetyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 29227737
(2-cyanophenyl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2629944
benzyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]acetate
CID 26262948
(4-benzoylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 4240188
(4-acetylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2648489
5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 2915253
5-methyl-3-phenyl-N-(propan-2-ylideneamino)-1,2-oxazole-4-carboxamide
CID 165343278
(3-methylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7901076
2-(4-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614298

Frequently Asked Questions

What is the IUPAC name of (1,3-diphenylpropan-2-ylideneamino) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of (1,3-diphenylpropan-2-ylideneamino) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 2803466) is (1,3-diphenylpropan-2-ylideneamino) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for (1,3-diphenylpropan-2-ylideneamino) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for (1,3-diphenylpropan-2-ylideneamino) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is Cc1onc(-c2ccccc2)c1C(=O)ON=C(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (1,3-diphenylpropan-2-ylideneamino) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is PJUWQHQHWGDBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-19-24(25(28-30-19)22-15-9-4-10-16-22)26(29)31-27-23(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16H,17-18H2,1H3.
What are the key properties of (1,3-diphenylpropan-2-ylideneamino) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
(1,3-diphenylpropan-2-ylideneamino) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 410.47 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diphenylpropan-2-ylideneamino) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2803466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).