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

C12H11NO3 — CID 5285610

IUPAC(4Z)-4-[(2-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one
SMILESCOc1ccccc1/C=C1\C(=O)ON=C1C
InChIInChI=1S/C12H11NO3/c1-8-10(12(14)16-13-8)7-9-5-3-4-6-11(9)15-2/h3-7H,1-2H3/b10-7-
InChIKeyWCVBPLSMUZZOOE-YFHOEESVSA-N
MW217.22 g/mol
LogP2.01
Rot. Bonds2

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

(4Z)-4-[(2-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one (PubChem CID 5285610) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is (4Z)-4-[(2-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(2-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one
PubChem CID5285610
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name(4Z)-4-[(2-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one
SMILESCOc1ccccc1/C=C1\C(=O)ON=C1C
InChIInChI=1S/C12H11NO3/c1-8-10(12(14)16-13-8)7-9-5-3-4-6-11(9)15-2/h3-7H,1-2H3/b10-7-
InChIKeyWCVBPLSMUZZOOE-YFHOEESVSA-N
XLogP2.01
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one?
The IUPAC name of (4Z)-4-[(2-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one (CID 5285610) is (4Z)-4-[(2-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(2-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(2-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one is COc1ccccc1/C=C1\C(=O)ON=C1C.
What is the InChIKey of (4Z)-4-[(2-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one?
The InChIKey is WCVBPLSMUZZOOE-YFHOEESVSA-N. The full InChI is InChI=1S/C12H11NO3/c1-8-10(12(14)16-13-8)7-9-5-3-4-6-11(9)15-2/h3-7H,1-2H3/b10-7-.
What are the key properties of (4Z)-4-[(2-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one?
(4Z)-4-[(2-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one has a molecular weight of 217.22 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one is sourced from PubChem (CID 5285610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).