3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-oxazolidin-4-one

C19H18N2O3 — CID 76574452

IUPAC3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-oxazolidin-4-one
SMILESCCN1C(=O)C(=Cc2ccc(OC)cc2)O/C1=N\c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-3-21-18(22)17(13-14-9-11-16(23-2)12-10-14)24-19(21)20-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3/b17-13?,20-19-
InChIKeyBVFKQPQSLAASQZ-ONKRAYEBSA-N
MW322.36 g/mol
LogP3.60
Rot. Bonds4

About 3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-oxazolidin-4-one

3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-oxazolidin-4-one (PubChem CID 76574452) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-oxazolidin-4-one
PubChem CID76574452
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-oxazolidin-4-one
SMILESCCN1C(=O)C(=Cc2ccc(OC)cc2)O/C1=N\c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-3-21-18(22)17(13-14-9-11-16(23-2)12-10-14)24-19(21)20-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3/b17-13?,20-19-
InChIKeyBVFKQPQSLAASQZ-ONKRAYEBSA-N
XLogP3.60
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-3-ethyl-5-[(9-ethylcarbazol-3-yl)methylidene]-2-phenylimino-1,3-oxazolidin-4-one
CID 58958967
(5E)-3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 9484688
(5E)-3-ethyl-2-(4-methoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 126236270
(5E)-5-[(4-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 24846761
(3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one
CID 58795351
4-[[(5E)-3-[(4-ethoxyphenyl)methyl]-5-[(9-ethylcarbazol-3-yl)methylidene]-4-oxo-1,3-oxazolidin-2-ylidene]amino]benzaldehyde
CID 88933371
2-[[(5E)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidin-2-ylidene]amino]benzaldehyde
CID 88914523
2-[(4-methoxyphenyl)methylidene]-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 5146102
(5E)-5-[[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methylidene]-2-piperidin-1-ylimino-3-prop-2-enyl-1,3-oxazolidin-4-one
CID 58107897
(5E)-3-[(4-methoxyphenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 6375600
ethyl 4-[[(5E)-3-[(4-ethoxyphenyl)methyl]-5-[(9-ethylcarbazol-3-yl)methylidene]-4-oxo-1,3-oxazolidin-2-ylidene]amino]benzoate
CID 58958964
2-[2-[(4-methoxyphenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-(1-phenylethyl)acetamide
CID 6621646

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-oxazolidin-4-one?
The IUPAC name of 3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-oxazolidin-4-one (CID 76574452) is 3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-oxazolidin-4-one.
What is the SMILES notation for 3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-oxazolidin-4-one?
The canonical SMILES for 3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-oxazolidin-4-one is CCN1C(=O)C(=Cc2ccc(OC)cc2)O/C1=N\c1ccccc1.
What is the InChIKey of 3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-oxazolidin-4-one?
The InChIKey is BVFKQPQSLAASQZ-ONKRAYEBSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-21-18(22)17(13-14-9-11-16(23-2)12-10-14)24-19(21)20-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3/b17-13?,20-19-.
What are the key properties of 3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-oxazolidin-4-one?
3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-oxazolidin-4-one has a molecular weight of 322.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-oxazolidin-4-one is sourced from PubChem (CID 76574452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).