(5E)-3-ethyl-5-[(9-ethylcarbazol-3-yl)methylidene]-2-propylimino-1,3-oxazolidin-4-one

C23H25N3O2 — CID 59672435

IUPAC(5E)-3-ethyl-5-[(9-ethylcarbazol-3-yl)methylidene]-2-propylimino-1,3-oxazolidin-4-one
SMILESCCC/N=C1\O/C(=C/c2ccc3c(c2)c2ccccc2n3CC)C(=O)N1CC
InChIInChI=1S/C23H25N3O2/c1-4-13-24-23-26(6-3)22(27)21(28-23)15-16-11-12-20-18(14-16)17-9-7-8-10-19(17)25(20)5-2/h7-12,14-15H,4-6,13H2,1-3H3/b21-15+,24-23-
InChIKeyDKVQLQWSMDZAOQ-NVZLDUMVSA-N
MW375.47 g/mol
LogP4.80
Rot. Bonds5

About (5E)-3-ethyl-5-[(9-ethylcarbazol-3-yl)methylidene]-2-propylimino-1,3-oxazolidin-4-one

(5E)-3-ethyl-5-[(9-ethylcarbazol-3-yl)methylidene]-2-propylimino-1,3-oxazolidin-4-one (PubChem CID 59672435) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (5E)-3-ethyl-5-[(9-ethylcarbazol-3-yl)methylidene]-2-propylimino-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-ethyl-5-[(9-ethylcarbazol-3-yl)methylidene]-2-propylimino-1,3-oxazolidin-4-one
PubChem CID59672435
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(5E)-3-ethyl-5-[(9-ethylcarbazol-3-yl)methylidene]-2-propylimino-1,3-oxazolidin-4-one
SMILESCCC/N=C1\O/C(=C/c2ccc3c(c2)c2ccccc2n3CC)C(=O)N1CC
InChIInChI=1S/C23H25N3O2/c1-4-13-24-23-26(6-3)22(27)21(28-23)15-16-11-12-20-18(14-16)17-9-7-8-10-19(17)25(20)5-2/h7-12,14-15H,4-6,13H2,1-3H3/b21-15+,24-23-
InChIKeyDKVQLQWSMDZAOQ-NVZLDUMVSA-N
XLogP4.80
TPSA46.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.80
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-[(4-ethoxyphenyl)methyl]-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione
CID 58785600
(2E)-2-[(9-ethylcarbazol-3-yl)methylidene]-1-benzofuran-3-one
CID 58621794
4-[[(5E)-3-[(4-ethoxyphenyl)methyl]-5-[(9-ethylcarbazol-3-yl)methylidene]-4-oxo-1,3-oxazolidin-2-ylidene]amino]benzaldehyde
CID 88933371
(5E)-3-ethyl-5-[(9-ethylcarbazol-3-yl)methylidene]-2-(2-phenylethylimino)-1,3-thiazolidin-4-one
CID 59760772
ethyl 4-[[(5E)-3-[(4-ethoxyphenyl)methyl]-5-[(9-ethylcarbazol-3-yl)methylidene]-4-oxo-1,3-oxazolidin-2-ylidene]amino]benzoate
CID 58958964
3-(3-bromoprop-1-enyl)-9-ethylcarbazole
CID 79324160
3-[4-oxo-5-[(9-prop-2-enylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-oxazolidin-3-yl]propanenitrile
CID 72583339
3-[(9-ethylcarbazol-3-yl)methylidene]-1H-indol-2-one
CID 69456553
(5E)-5-[(9-ethylcarbazol-3-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 124677543
1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 781157
(5E)-5-[[4-(dimethylamino)-3-methylphenyl]methylidene]-3-ethyl-2-methylimino-1,3-oxazolidin-4-one
CID 138738457

Frequently Asked Questions

What is the IUPAC name of (5E)-3-ethyl-5-[(9-ethylcarbazol-3-yl)methylidene]-2-propylimino-1,3-oxazolidin-4-one?
The IUPAC name of (5E)-3-ethyl-5-[(9-ethylcarbazol-3-yl)methylidene]-2-propylimino-1,3-oxazolidin-4-one (CID 59672435) is (5E)-3-ethyl-5-[(9-ethylcarbazol-3-yl)methylidene]-2-propylimino-1,3-oxazolidin-4-one.
What is the SMILES notation for (5E)-3-ethyl-5-[(9-ethylcarbazol-3-yl)methylidene]-2-propylimino-1,3-oxazolidin-4-one?
The canonical SMILES for (5E)-3-ethyl-5-[(9-ethylcarbazol-3-yl)methylidene]-2-propylimino-1,3-oxazolidin-4-one is CCC/N=C1\O/C(=C/c2ccc3c(c2)c2ccccc2n3CC)C(=O)N1CC.
What is the InChIKey of (5E)-3-ethyl-5-[(9-ethylcarbazol-3-yl)methylidene]-2-propylimino-1,3-oxazolidin-4-one?
The InChIKey is DKVQLQWSMDZAOQ-NVZLDUMVSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-4-13-24-23-26(6-3)22(27)21(28-23)15-16-11-12-20-18(14-16)17-9-7-8-10-19(17)25(20)5-2/h7-12,14-15H,4-6,13H2,1-3H3/b21-15+,24-23-.
What are the key properties of (5E)-3-ethyl-5-[(9-ethylcarbazol-3-yl)methylidene]-2-propylimino-1,3-oxazolidin-4-one?
(5E)-3-ethyl-5-[(9-ethylcarbazol-3-yl)methylidene]-2-propylimino-1,3-oxazolidin-4-one has a molecular weight of 375.47 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethyl-5-[(9-ethylcarbazol-3-yl)methylidene]-2-propylimino-1,3-oxazolidin-4-one is sourced from PubChem (CID 59672435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).