(4Z)-2-tert-butyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one

C18H23NO3 — CID 108937681

IUPAC(4Z)-2-tert-butyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCOc1ccc(C(C)C)cc1/C=C1\N=C(C(C)(C)C)OC1=O
InChIInChI=1S/C18H23NO3/c1-11(2)12-7-8-15(21-6)13(9-12)10-14-16(20)22-17(19-14)18(3,4)5/h7-11H,1-6H3/b14-10-
InChIKeyMWZXTBOFJKPYCT-UVTDQMKNSA-N
MW301.39 g/mol
LogP4.16
Rot. Bonds3

About (4Z)-2-tert-butyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one

(4Z)-2-tert-butyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 108937681) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (4Z)-2-tert-butyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-tert-butyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID108937681
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(4Z)-2-tert-butyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCOc1ccc(C(C)C)cc1/C=C1\N=C(C(C)(C)C)OC1=O
InChIInChI=1S/C18H23NO3/c1-11(2)12-7-8-15(21-6)13(9-12)10-14-16(20)22-17(19-14)18(3,4)5/h7-11H,1-6H3/b14-10-
InChIKeyMWZXTBOFJKPYCT-UVTDQMKNSA-N
XLogP4.16
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4Z)-2-(3-methoxyphenyl)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 108937695
(4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-phenyl-1H-imidazol-5-one
CID 136895842
(4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-pyridin-2-yl-1H-imidazol-5-one
CID 136895839
(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-methyl-1,3-oxazol-5-one
CID 13080921
(4Z)-2-cyclobutyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
CID 136895880
(4E)-2-methyl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108936871
(4E)-2-(3,4-dimethoxyphenyl)-4-[(2-methoxy-5-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 8902893
4-[(2,5-dimethoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 822677
2-(3,4-dimethoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4132107
(4Z)-4-[(5-bromo-2-methoxyphenyl)methylidene]-2-(3,4-dichlorophenyl)-1,3-oxazol-5-one
CID 6515517
4-[(2,5-dimethoxyphenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one
CID 5218234
(4E)-2-benzyl-4-[(5-fluoro-2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108937318

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-tert-butyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-tert-butyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one (CID 108937681) is (4Z)-2-tert-butyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-tert-butyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-tert-butyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one is COc1ccc(C(C)C)cc1/C=C1\N=C(C(C)(C)C)OC1=O.
What is the InChIKey of (4Z)-2-tert-butyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is MWZXTBOFJKPYCT-UVTDQMKNSA-N. The full InChI is InChI=1S/C18H23NO3/c1-11(2)12-7-8-15(21-6)13(9-12)10-14-16(20)22-17(19-14)18(3,4)5/h7-11H,1-6H3/b14-10-.
What are the key properties of (4Z)-2-tert-butyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-tert-butyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 301.39 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-tert-butyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 108937681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).