(5E)-5-[[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methylidene]-2-piperidin-1-ylimino-3-prop-2-enyl-1,3-oxazolidin-4-one

C32H34N4O3 — CID 58107897

IUPAC(5E)-5-[[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methylidene]-2-piperidin-1-ylimino-3-prop-2-enyl-1,3-oxazolidin-4-one
SMILESC=CCN1C(=O)/C(=C\c2ccc(N(c3ccc(C)cc3)c3ccc(OC)cc3)cc2)OC1=NN1CCCCC1
InChIInChI=1S/C32H34N4O3/c1-4-20-35-31(37)30(39-32(35)33-34-21-6-5-7-22-34)23-25-10-14-27(15-11-25)36(26-12-8-24(2)9-13-26)28-16-18-29(38-3)19-17-28/h4,8-19,23H,1,5-7,20-22H2,2-3H3/b30-23+,33-32?
InChIKeyGWUYWJMTZSBYAA-RZNVLXEQSA-N
MW522.65 g/mol
LogP6.62
Rot. Bonds8

About (5E)-5-[[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methylidene]-2-piperidin-1-ylimino-3-prop-2-enyl-1,3-oxazolidin-4-one

(5E)-5-[[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methylidene]-2-piperidin-1-ylimino-3-prop-2-enyl-1,3-oxazolidin-4-one (PubChem CID 58107897) has the molecular formula C32H34N4O3 and a molecular weight of 522.65 g/mol. Its IUPAC name is (5E)-5-[[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methylidene]-2-piperidin-1-ylimino-3-prop-2-enyl-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methylidene]-2-piperidin-1-ylimino-3-prop-2-enyl-1,3-oxazolidin-4-one
PubChem CID58107897
Molecular FormulaC32H34N4O3
Molecular Weight522.65 g/mol
Exact Mass522.26
IUPAC Name(5E)-5-[[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methylidene]-2-piperidin-1-ylimino-3-prop-2-enyl-1,3-oxazolidin-4-one
SMILESC=CCN1C(=O)/C(=C\c2ccc(N(c3ccc(C)cc3)c3ccc(OC)cc3)cc2)OC1=NN1CCCCC1
InChIInChI=1S/C32H34N4O3/c1-4-20-35-31(37)30(39-32(35)33-34-21-6-5-7-22-34)23-25-10-14-27(15-11-25)36(26-12-8-24(2)9-13-26)28-16-18-29(38-3)19-17-28/h4,8-19,23H,1,5-7,20-22H2,2-3H3/b30-23+,33-32?
InChIKeyGWUYWJMTZSBYAA-RZNVLXEQSA-N
XLogP6.62
TPSA57.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-[[4-(4-methoxy-N-(4-methoxycyclohexa-1,5-dien-1-yl)anilino)phenyl]methylidene]-2-piperidin-1-ylimino-3-prop-2-enyl-1,3-oxazolidin-4-one
CID 88983477
3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-oxazolidin-4-one
CID 76574452
(5E)-3-dodecyl-5-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one
CID 58958960
(5E)-3-[2-(2,4-dimethoxyphenyl)ethyl]-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
CID 58785606
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
3-[(2E)-2-[(4-methoxyphenyl)methylidene]-6-methyl-3-oxo-1,4-benzoxazin-4-yl]-2,2-dimethylpropanoic acid
CID 28863742
(5E)-2-cyclohexylimino-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1,3-oxazolidin-4-one
CID 59297361
(8E)-8-[(4-methoxyphenyl)methylidene]oxocan-2-one
CID 10243649
(2E)-4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-[(4-methoxyphenyl)methylidene]-1,4-benzoxazin-3-one
CID 46374033
3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110556828
N-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 54214278
2-[(4-methoxyphenyl)methylidene]-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 5146102

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methylidene]-2-piperidin-1-ylimino-3-prop-2-enyl-1,3-oxazolidin-4-one?
The IUPAC name of (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) is (5E)-5-[[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methylidene]-2-piperidin-1-ylimino-3-prop-2-enyl-1,3-oxazolidin-4-one.
What is the SMILES notation for (5E)-5-[[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methylidene]-2-piperidin-1-ylimino-3-prop-2-enyl-1,3-oxazolidin-4-one?
The canonical SMILES for (5E)-5-[[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methylidene]-2-piperidin-1-ylimino-3-prop-2-enyl-1,3-oxazolidin-4-one is C=CCN1C(=O)/C(=C\c2ccc(N(c3ccc(C)cc3)c3ccc(OC)cc3)cc2)OC1=NN1CCCCC1.
What is the InChIKey of (5E)-5-[[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methylidene]-2-piperidin-1-ylimino-3-prop-2-enyl-1,3-oxazolidin-4-one?
The InChIKey is GWUYWJMTZSBYAA-RZNVLXEQSA-N. The full InChI is InChI=1S/C32H34N4O3/c1-4-20-35-31(37)30(39-32(35)33-34-21-6-5-7-22-34)23-25-10-14-27(15-11-25)36(26-12-8-24(2)9-13-26)28-16-18-29(38-3)19-17-28/h4,8-19,23H,1,5-7,20-22H2,2-3H3/b30-23+,33-32?.
What are the key properties of (5E)-5-[[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methylidene]-2-piperidin-1-ylimino-3-prop-2-enyl-1,3-oxazolidin-4-one?
(5E)-5-[[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methylidene]-2-piperidin-1-ylimino-3-prop-2-enyl-1,3-oxazolidin-4-one has a molecular weight of 522.65 g/mol, XLogP of 6.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methylidene]-2-piperidin-1-ylimino-3-prop-2-enyl-1,3-oxazolidin-4-one is sourced from PubChem (CID 58107897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).