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

C12H12N2O2 — CID 10632498

IUPAC2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-phenylethanone
SMILES[H]/N=c1\occ(C)n1CC(=O)c1ccccc1
InChIInChI=1S/C12H12N2O2/c1-9-8-16-12(13)14(9)7-11(15)10-5-3-2-4-6-10/h2-6,8,13H,7H2,1H3/b13-12-
InChIKeyPUBBMNYVROOILQ-SEYXRHQNSA-N
MW216.24 g/mol
LogP1.75
Rot. Bonds3

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

2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-phenylethanone (PubChem CID 10632498) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-phenylethanone
PubChem CID10632498
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-phenylethanone
SMILES[H]/N=c1\occ(C)n1CC(=O)c1ccccc1
InChIInChI=1S/C12H12N2O2/c1-9-8-16-12(13)14(9)7-11(15)10-5-3-2-4-6-10/h2-6,8,13H,7H2,1H3/b13-12-
InChIKeyPUBBMNYVROOILQ-SEYXRHQNSA-N
XLogP1.75
TPSA58.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.75
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-phenylethanone?
The IUPAC name of 2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-phenylethanone (CID 10632498) is 2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-phenylethanone.
What is the SMILES notation for 2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-phenylethanone?
The canonical SMILES for 2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-phenylethanone is [H]/N=c1\occ(C)n1CC(=O)c1ccccc1.
What is the InChIKey of 2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-phenylethanone?
The InChIKey is PUBBMNYVROOILQ-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-9-8-16-12(13)14(9)7-11(15)10-5-3-2-4-6-10/h2-6,8,13H,7H2,1H3/b13-12-.
What are the key properties of 2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-phenylethanone?
2-(2-imino-4-methyl-1,3-oxazol-3-yl)-1-phenylethanone has a molecular weight of 216.24 g/mol, XLogP of 1.75, 3 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-phenylethanone is sourced from PubChem (CID 10632498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).