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

C18H15NO3 — CID 35212872

IUPAC(4Z)-3-methyl-4-[(2-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one
SMILESCC1=NOC(=O)/C1=C\c1ccccc1OCc1ccccc1
InChIInChI=1S/C18H15NO3/c1-13-16(18(20)22-19-13)11-15-9-5-6-10-17(15)21-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3/b16-11-
InChIKeyKCROWXAVKMVWNJ-WJDWOHSUSA-N
MW293.32 g/mol
LogP3.58
Rot. Bonds4

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

(4Z)-3-methyl-4-[(2-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one (PubChem CID 35212872) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is (4Z)-3-methyl-4-[(2-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-3-methyl-4-[(2-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one
PubChem CID35212872
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name(4Z)-3-methyl-4-[(2-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one
SMILESCC1=NOC(=O)/C1=C\c1ccccc1OCc1ccccc1
InChIInChI=1S/C18H15NO3/c1-13-16(18(20)22-19-13)11-15-9-5-6-10-17(15)21-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3/b16-11-
InChIKeyKCROWXAVKMVWNJ-WJDWOHSUSA-N
XLogP3.58
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.58
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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Related Compounds

(4E)-4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-1,2-oxazol-5-one
CID 46499891
(4Z)-3-(4-methylphenyl)-4-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,2-oxazol-5-one
CID 2715895
(4E)-5-methyl-2-phenyl-4-[(2-phenylmethoxyphenyl)methylidene]pyrazol-3-one
CID 44665480
(4Z)-4-[[3,5-dichloro-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-1,2-oxazol-5-one
CID 126087962
(4E)-3-(chloromethyl)-4-[(2-ethoxyphenyl)methylidene]-1,2-oxazol-5-one
CID 25220202
4-[[4-[(3-methyl-5-oxo-1,2-oxazol-4-ylidene)methyl]phenoxy]methyl]benzoic acid
CID 3902892
4-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one
CID 2937111
4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-3-methyl-1,2-oxazol-5-one
CID 1047667
(4Z)-4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-3-methyl-1,2-oxazol-5-one
CID 5436815
(4Z)-4-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 126087138
methyl (5E)-4-hydroxy-2-methyl-5-[(2-phenylmethoxyphenyl)methylidene]pyrrole-3-carboxylate
CID 135447333
(4Z)-2,5-diphenyl-4-[(2-phenylmethoxyphenyl)methylidene]pyrazol-3-one
CID 126086220

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-methyl-4-[(2-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one?
The IUPAC name of (4Z)-3-methyl-4-[(2-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one (CID 35212872) is (4Z)-3-methyl-4-[(2-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one.
What is the SMILES notation for (4Z)-3-methyl-4-[(2-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one?
The canonical SMILES for (4Z)-3-methyl-4-[(2-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one is CC1=NOC(=O)/C1=C\c1ccccc1OCc1ccccc1.
What is the InChIKey of (4Z)-3-methyl-4-[(2-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one?
The InChIKey is KCROWXAVKMVWNJ-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H15NO3/c1-13-16(18(20)22-19-13)11-15-9-5-6-10-17(15)21-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3/b16-11-.
What are the key properties of (4Z)-3-methyl-4-[(2-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one?
(4Z)-3-methyl-4-[(2-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one has a molecular weight of 293.32 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-methyl-4-[(2-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one is sourced from PubChem (CID 35212872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).