(5E)-2-tert-butyl-5-[(4-methylphenyl)-phenylmethylidene]-4H-1,3-oxazole

C21H23NO — CID 122207954

IUPAC(5E)-2-tert-butyl-5-[(4-methylphenyl)-phenylmethylidene]-4H-1,3-oxazole
SMILESCc1ccc(/C(=C2\CN=C(C(C)(C)C)O2)c2ccccc2)cc1
InChIInChI=1S/C21H23NO/c1-15-10-12-17(13-11-15)19(16-8-6-5-7-9-16)18-14-22-20(23-18)21(2,3)4/h5-13H,14H2,1-4H3/b19-18+
InChIKeyDZLWJRILHDYOGL-VHEBQXMUSA-N
MW305.42 g/mol
LogP5.23
Rot. Bonds2

About (5E)-2-tert-butyl-5-[(4-methylphenyl)-phenylmethylidene]-4H-1,3-oxazole

(5E)-2-tert-butyl-5-[(4-methylphenyl)-phenylmethylidene]-4H-1,3-oxazole (PubChem CID 122207954) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is (5E)-2-tert-butyl-5-[(4-methylphenyl)-phenylmethylidene]-4H-1,3-oxazole.

Molecular Properties

Compound Name(5E)-2-tert-butyl-5-[(4-methylphenyl)-phenylmethylidene]-4H-1,3-oxazole
PubChem CID122207954
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name(5E)-2-tert-butyl-5-[(4-methylphenyl)-phenylmethylidene]-4H-1,3-oxazole
SMILESCc1ccc(/C(=C2\CN=C(C(C)(C)C)O2)c2ccccc2)cc1
InChIInChI=1S/C21H23NO/c1-15-10-12-17(13-11-15)19(16-8-6-5-7-9-16)18-14-22-20(23-18)21(2,3)4/h5-13H,14H2,1-4H3/b19-18+
InChIKeyDZLWJRILHDYOGL-VHEBQXMUSA-N
XLogP5.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzhydrylidene-2-tert-butyl-4H-1,3-oxazole
CID 122207953
1-[4-[(E)-(2-tert-butyl-4H-1,3-oxazol-5-ylidene)-phenylmethyl]phenyl]ethanone
CID 134851611
(5Z)-2-tert-butyl-5-[(4-chlorophenyl)-phenylmethylidene]-4H-1,3-oxazole
CID 134851612
(5Z)-2-tert-butyl-5-(1-phenylpropylidene)-4H-1,3-oxazole
CID 134862158
(5Z)-2-tert-butyl-5-[(4-methylphenyl)-phenylmethylidene]-4H-1,3-oxazole
CID 177438429
N-(2-ethoxyprop-2-enyl)-1,1-diphenylmethanimine
CID 56973326
N-(2-methoxyprop-2-enyl)-1,1-diphenylmethanimine
CID 89410384
N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]-1,1-diphenylmethanimine
CID 90160101
5-[(E)-but-1-enyl]-4-methoxy-1-phenyl-3H-2-benzazepine
CID 144595395
1,1-bis(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]methanimine;ethane
CID 145272355
2-(2,6-Ditert-butylpyran-4-ylidene)-4-phenylpyrrole
CID 4334710
5-(2,6-Ditert-butylpyran-4-ylidene)-2,3-diphenylpyrrole
CID 4692925

Frequently Asked Questions

What is the IUPAC name of (5E)-2-tert-butyl-5-[(4-methylphenyl)-phenylmethylidene]-4H-1,3-oxazole?
The IUPAC name of (5E)-2-tert-butyl-5-[(4-methylphenyl)-phenylmethylidene]-4H-1,3-oxazole (CID 122207954) is (5E)-2-tert-butyl-5-[(4-methylphenyl)-phenylmethylidene]-4H-1,3-oxazole.
What is the SMILES notation for (5E)-2-tert-butyl-5-[(4-methylphenyl)-phenylmethylidene]-4H-1,3-oxazole?
The canonical SMILES for (5E)-2-tert-butyl-5-[(4-methylphenyl)-phenylmethylidene]-4H-1,3-oxazole is Cc1ccc(/C(=C2\CN=C(C(C)(C)C)O2)c2ccccc2)cc1.
What is the InChIKey of (5E)-2-tert-butyl-5-[(4-methylphenyl)-phenylmethylidene]-4H-1,3-oxazole?
The InChIKey is DZLWJRILHDYOGL-VHEBQXMUSA-N. The full InChI is InChI=1S/C21H23NO/c1-15-10-12-17(13-11-15)19(16-8-6-5-7-9-16)18-14-22-20(23-18)21(2,3)4/h5-13H,14H2,1-4H3/b19-18+.
What are the key properties of (5E)-2-tert-butyl-5-[(4-methylphenyl)-phenylmethylidene]-4H-1,3-oxazole?
(5E)-2-tert-butyl-5-[(4-methylphenyl)-phenylmethylidene]-4H-1,3-oxazole has a molecular weight of 305.42 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-tert-butyl-5-[(4-methylphenyl)-phenylmethylidene]-4H-1,3-oxazole is sourced from PubChem (CID 122207954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).