1-[4-[(3-benzyl-1,3-oxazolidin-2-ylidene)amino]phenyl]ethanone

C18H18N2O2 — CID 11543886

IUPAC1-[4-[(3-benzyl-1,3-oxazolidin-2-ylidene)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(/N=C2\OCCN2Cc2ccccc2)cc1
InChIInChI=1S/C18H18N2O2/c1-14(21)16-7-9-17(10-8-16)19-18-20(11-12-22-18)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3/b19-18-
InChIKeyJJAZMKOKAPDAEO-HNENSFHCSA-N
MW294.35 g/mol
LogP3.41
Rot. Bonds4

About 1-[4-[(3-benzyl-1,3-oxazolidin-2-ylidene)amino]phenyl]ethanone

1-[4-[(3-benzyl-1,3-oxazolidin-2-ylidene)amino]phenyl]ethanone (PubChem CID 11543886) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[4-[(3-benzyl-1,3-oxazolidin-2-ylidene)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(3-benzyl-1,3-oxazolidin-2-ylidene)amino]phenyl]ethanone
PubChem CID11543886
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1-[4-[(3-benzyl-1,3-oxazolidin-2-ylidene)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(/N=C2\OCCN2Cc2ccccc2)cc1
InChIInChI=1S/C18H18N2O2/c1-14(21)16-7-9-17(10-8-16)19-18-20(11-12-22-18)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3/b19-18-
InChIKeyJJAZMKOKAPDAEO-HNENSFHCSA-N
XLogP3.41
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid
CID 82379365
6-(4-acetylphenyl)-1-benzyl-2,3-dihydropyridin-4-one
CID 102228045
ethane;1-(4-phenyldiazenylphenyl)ethanone
CID 165138177
1-(3-benzyl-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl)ethanone
CID 140969858
1-[4-[(3R,4S)-1-benzyl-4-hydroxypyrrolidin-3-yl]phenyl]ethanone
CID 134951863
(5E)-3-benzyl-5-(chloromethylidene)-N-phenyl-1,3-oxazolidin-2-imine
CID 177388189
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
2-(4-acetylanilino)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002057
1-benzyl-3-methyl-4,5-dihydroimidazol-3-ium-2-carboxylate;3,6-dimethyl-1,4-dioxane-2,5-dione;1,3-dioxan-2-one
CID 159571593
8-[(4-acetylphenyl)methyl]-4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one
CID 58245510
1-[4-(4-benzylphenyl)phenyl]ethanone
CID 67858865
N-[(6Z)-3-benzyl-5,8-dihydro-4H-1,3-oxazocin-2-ylidene]-2,2,2-trichloroacetamide
CID 102166021

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-benzyl-1,3-oxazolidin-2-ylidene)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(3-benzyl-1,3-oxazolidin-2-ylidene)amino]phenyl]ethanone (CID 11543886) is 1-[4-[(3-benzyl-1,3-oxazolidin-2-ylidene)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(3-benzyl-1,3-oxazolidin-2-ylidene)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(3-benzyl-1,3-oxazolidin-2-ylidene)amino]phenyl]ethanone is CC(=O)c1ccc(/N=C2\OCCN2Cc2ccccc2)cc1.
What is the InChIKey of 1-[4-[(3-benzyl-1,3-oxazolidin-2-ylidene)amino]phenyl]ethanone?
The InChIKey is JJAZMKOKAPDAEO-HNENSFHCSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-14(21)16-7-9-17(10-8-16)19-18-20(11-12-22-18)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3/b19-18-.
What are the key properties of 1-[4-[(3-benzyl-1,3-oxazolidin-2-ylidene)amino]phenyl]ethanone?
1-[4-[(3-benzyl-1,3-oxazolidin-2-ylidene)amino]phenyl]ethanone has a molecular weight of 294.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-benzyl-1,3-oxazolidin-2-ylidene)amino]phenyl]ethanone is sourced from PubChem (CID 11543886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).