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

C15H17NO3 — CID 18558861

IUPAC(4Z)-2-tert-butyl-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCOc1ccccc1/C=C1\N=C(C(C)(C)C)OC1=O
InChIInChI=1S/C15H17NO3/c1-15(2,3)14-16-11(13(17)19-14)9-10-7-5-6-8-12(10)18-4/h5-9H,1-4H3/b11-9-
InChIKeyJWJOYVYHMQZWSD-LUAWRHEFSA-N
MW259.31 g/mol
LogP3.04
Rot. Bonds2

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

(4Z)-2-tert-butyl-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 18558861) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is (4Z)-2-tert-butyl-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-tert-butyl-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID18558861
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name(4Z)-2-tert-butyl-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCOc1ccccc1/C=C1\N=C(C(C)(C)C)OC1=O
InChIInChI=1S/C15H17NO3/c1-15(2,3)14-16-11(13(17)19-14)9-10-7-5-6-8-12(10)18-4/h5-9H,1-4H3/b11-9-
InChIKeyJWJOYVYHMQZWSD-LUAWRHEFSA-N
XLogP3.04
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.04
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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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-tert-butyl-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-tert-butyl-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one (CID 18558861) is (4Z)-2-tert-butyl-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-tert-butyl-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-tert-butyl-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one is COc1ccccc1/C=C1\N=C(C(C)(C)C)OC1=O.
What is the InChIKey of (4Z)-2-tert-butyl-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is JWJOYVYHMQZWSD-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H17NO3/c1-15(2,3)14-16-11(13(17)19-14)9-10-7-5-6-8-12(10)18-4/h5-9H,1-4H3/b11-9-.
What are the key properties of (4Z)-2-tert-butyl-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-tert-butyl-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 259.31 g/mol, XLogP of 3.04, 2 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-methoxyphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 18558861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).