2-(2-phenyl-1,3-oxazol-4-yl)-1-(2-propan-2-ylimino-1-pyridinyl)ethanone

C19H19N3O2 — CID 51112105

IUPAC2-(2-phenyl-1,3-oxazol-4-yl)-1-(2-propan-2-ylimino-1-pyridinyl)ethanone
SMILESCC(C)/N=c1\ccccn1C(=O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C19H19N3O2/c1-14(2)20-17-10-6-7-11-22(17)18(23)12-16-13-24-19(21-16)15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3/b20-17+
InChIKeyQHIIMHUHUBRXCO-LVZFUZTISA-N
MW321.38 g/mol
LogP3.34
Rot. Bonds4

About 2-(2-phenyl-1,3-oxazol-4-yl)-1-(2-propan-2-ylimino-1-pyridinyl)ethanone

2-(2-phenyl-1,3-oxazol-4-yl)-1-(2-propan-2-ylimino-1-pyridinyl)ethanone (PubChem CID 51112105) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(2-phenyl-1,3-oxazol-4-yl)-1-(2-propan-2-ylimino-1-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-phenyl-1,3-oxazol-4-yl)-1-(2-propan-2-ylimino-1-pyridinyl)ethanone
PubChem CID51112105
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(2-phenyl-1,3-oxazol-4-yl)-1-(2-propan-2-ylimino-1-pyridinyl)ethanone
SMILESCC(C)/N=c1\ccccn1C(=O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C19H19N3O2/c1-14(2)20-17-10-6-7-11-22(17)18(23)12-16-13-24-19(21-16)15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3/b20-17+
InChIKeyQHIIMHUHUBRXCO-LVZFUZTISA-N
XLogP3.34
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
CID 164836493
(2R)-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanamide
CID 94483610
ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 15567335
1-morpholin-4-yl-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
CID 38549400
N-(1-phenylethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51261759
2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide
CID 39436445
N-(5-methylhexan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 42886686
2-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]sulfanylacetonitrile
CID 43069252
2-(2-phenyl-1,3-oxazol-4-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39427955
2-[(2S)-1-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-2-yl]acetamide
CID 95160386
(2R)-2-phenyl-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetamide
CID 94574132
N-[1-(2-methylphenyl)ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51262103

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1,3-oxazol-4-yl)-1-(2-propan-2-ylimino-1-pyridinyl)ethanone?
The IUPAC name of 2-(2-phenyl-1,3-oxazol-4-yl)-1-(2-propan-2-ylimino-1-pyridinyl)ethanone (CID 51112105) is 2-(2-phenyl-1,3-oxazol-4-yl)-1-(2-propan-2-ylimino-1-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-phenyl-1,3-oxazol-4-yl)-1-(2-propan-2-ylimino-1-pyridinyl)ethanone?
The canonical SMILES for 2-(2-phenyl-1,3-oxazol-4-yl)-1-(2-propan-2-ylimino-1-pyridinyl)ethanone is CC(C)/N=c1\ccccn1C(=O)Cc1coc(-c2ccccc2)n1.
What is the InChIKey of 2-(2-phenyl-1,3-oxazol-4-yl)-1-(2-propan-2-ylimino-1-pyridinyl)ethanone?
The InChIKey is QHIIMHUHUBRXCO-LVZFUZTISA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14(2)20-17-10-6-7-11-22(17)18(23)12-16-13-24-19(21-16)15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3/b20-17+.
What are the key properties of 2-(2-phenyl-1,3-oxazol-4-yl)-1-(2-propan-2-ylimino-1-pyridinyl)ethanone?
2-(2-phenyl-1,3-oxazol-4-yl)-1-(2-propan-2-ylimino-1-pyridinyl)ethanone has a molecular weight of 321.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1,3-oxazol-4-yl)-1-(2-propan-2-ylimino-1-pyridinyl)ethanone is sourced from PubChem (CID 51112105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).