2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-(4-phenylphenyl)ethanone

C18H16N2O2 — CID 10565573

IUPAC2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-(4-phenylphenyl)ethanone
SMILES[H]/N=c1\occ(C)n1CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O2/c1-13-12-22-18(19)20(13)11-17(21)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,12,19H,11H2,1H3/b19-18-
InChIKeyVITQXWQQAYLZQW-HNENSFHCSA-N
MW292.34 g/mol
LogP3.42
Rot. Bonds4

About 2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-(4-phenylphenyl)ethanone

2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-(4-phenylphenyl)ethanone (PubChem CID 10565573) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-(4-phenylphenyl)ethanone
PubChem CID10565573
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-(4-phenylphenyl)ethanone
SMILES[H]/N=c1\occ(C)n1CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O2/c1-13-12-22-18(19)20(13)11-17(21)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,12,19H,11H2,1H3/b19-18-
InChIKeyVITQXWQQAYLZQW-HNENSFHCSA-N
XLogP3.42
TPSA58.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-(4-phenylphenyl)ethanone?
The IUPAC name of 2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-(4-phenylphenyl)ethanone (CID 10565573) is 2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-(4-phenylphenyl)ethanone.
What is the SMILES notation for 2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-(4-phenylphenyl)ethanone?
The canonical SMILES for 2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-(4-phenylphenyl)ethanone is [H]/N=c1\occ(C)n1CC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-(4-phenylphenyl)ethanone?
The InChIKey is VITQXWQQAYLZQW-HNENSFHCSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13-12-22-18(19)20(13)11-17(21)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,12,19H,11H2,1H3/b19-18-.
What are the key properties of 2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-(4-phenylphenyl)ethanone?
2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-(4-phenylphenyl)ethanone has a molecular weight of 292.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-(4-phenylphenyl)ethanone is sourced from PubChem (CID 10565573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).