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

C20H20ClNO — CID 134851612

IUPAC(5Z)-2-tert-butyl-5-[(4-chlorophenyl)-phenylmethylidene]-4H-1,3-oxazole
SMILESCC(C)(C)C1=NC/C(=C(\c2ccccc2)c2ccc(Cl)cc2)O1
InChIInChI=1S/C20H20ClNO/c1-20(2,3)19-22-13-17(23-19)18(14-7-5-4-6-8-14)15-9-11-16(21)12-10-15/h4-12H,13H2,1-3H3/b18-17-
InChIKeyTZWPKZVVFDEZTA-ZCXUNETKSA-N
MW325.84 g/mol
LogP5.57
Rot. Bonds2

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

(5Z)-2-tert-butyl-5-[(4-chlorophenyl)-phenylmethylidene]-4H-1,3-oxazole (PubChem CID 134851612) has the molecular formula C20H20ClNO and a molecular weight of 325.84 g/mol. Its IUPAC name is (5Z)-2-tert-butyl-5-[(4-chlorophenyl)-phenylmethylidene]-4H-1,3-oxazole.

Molecular Properties

Compound Name(5Z)-2-tert-butyl-5-[(4-chlorophenyl)-phenylmethylidene]-4H-1,3-oxazole
PubChem CID134851612
Molecular FormulaC20H20ClNO
Molecular Weight325.84 g/mol
Exact Mass325.12
IUPAC Name(5Z)-2-tert-butyl-5-[(4-chlorophenyl)-phenylmethylidene]-4H-1,3-oxazole
SMILESCC(C)(C)C1=NC/C(=C(\c2ccccc2)c2ccc(Cl)cc2)O1
InChIInChI=1S/C20H20ClNO/c1-20(2,3)19-22-13-17(23-19)18(14-7-5-4-6-8-14)15-9-11-16(21)12-10-15/h4-12H,13H2,1-3H3/b18-17-
InChIKeyTZWPKZVVFDEZTA-ZCXUNETKSA-N
XLogP5.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.84
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-tert-butyl-5-[(4-chlorophenyl)-phenylmethylidene]-4H-1,3-oxazole?
The IUPAC name of (5Z)-2-tert-butyl-5-[(4-chlorophenyl)-phenylmethylidene]-4H-1,3-oxazole (CID 134851612) is (5Z)-2-tert-butyl-5-[(4-chlorophenyl)-phenylmethylidene]-4H-1,3-oxazole.
What is the SMILES notation for (5Z)-2-tert-butyl-5-[(4-chlorophenyl)-phenylmethylidene]-4H-1,3-oxazole?
The canonical SMILES for (5Z)-2-tert-butyl-5-[(4-chlorophenyl)-phenylmethylidene]-4H-1,3-oxazole is CC(C)(C)C1=NC/C(=C(\c2ccccc2)c2ccc(Cl)cc2)O1.
What is the InChIKey of (5Z)-2-tert-butyl-5-[(4-chlorophenyl)-phenylmethylidene]-4H-1,3-oxazole?
The InChIKey is TZWPKZVVFDEZTA-ZCXUNETKSA-N. The full InChI is InChI=1S/C20H20ClNO/c1-20(2,3)19-22-13-17(23-19)18(14-7-5-4-6-8-14)15-9-11-16(21)12-10-15/h4-12H,13H2,1-3H3/b18-17-.
What are the key properties of (5Z)-2-tert-butyl-5-[(4-chlorophenyl)-phenylmethylidene]-4H-1,3-oxazole?
(5Z)-2-tert-butyl-5-[(4-chlorophenyl)-phenylmethylidene]-4H-1,3-oxazole has a molecular weight of 325.84 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-tert-butyl-5-[(4-chlorophenyl)-phenylmethylidene]-4H-1,3-oxazole is sourced from PubChem (CID 134851612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).