2-(2-imino-4,5-dimethyl-1,3-oxazol-3-yl)-1-phenylethanone

C13H14N2O2 — CID 10513642

IUPAC2-(2-imino-4,5-dimethyl-1,3-oxazol-3-yl)-1-phenylethanone
SMILES[H]/N=c1\oc(C)c(C)n1CC(=O)c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-9-10(2)17-13(14)15(9)8-12(16)11-6-4-3-5-7-11/h3-7,14H,8H2,1-2H3/b14-13-
InChIKeyFANFIHBYSOBDAM-YPKPFQOOSA-N
MW230.27 g/mol
LogP2.06
Rot. Bonds3

About 2-(2-imino-4,5-dimethyl-1,3-oxazol-3-yl)-1-phenylethanone

2-(2-imino-4,5-dimethyl-1,3-oxazol-3-yl)-1-phenylethanone (PubChem CID 10513642) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(2-imino-4,5-dimethyl-1,3-oxazol-3-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(2-imino-4,5-dimethyl-1,3-oxazol-3-yl)-1-phenylethanone
PubChem CID10513642
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(2-imino-4,5-dimethyl-1,3-oxazol-3-yl)-1-phenylethanone
SMILES[H]/N=c1\oc(C)c(C)n1CC(=O)c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-9-10(2)17-13(14)15(9)8-12(16)11-6-4-3-5-7-11/h3-7,14H,8H2,1-2H3/b14-13-
InChIKeyFANFIHBYSOBDAM-YPKPFQOOSA-N
XLogP2.06
TPSA58.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-4,5-dimethyl-1,3-oxazol-3-yl)-1-phenylethanone?
The IUPAC name of 2-(2-imino-4,5-dimethyl-1,3-oxazol-3-yl)-1-phenylethanone (CID 10513642) is 2-(2-imino-4,5-dimethyl-1,3-oxazol-3-yl)-1-phenylethanone.
What is the SMILES notation for 2-(2-imino-4,5-dimethyl-1,3-oxazol-3-yl)-1-phenylethanone?
The canonical SMILES for 2-(2-imino-4,5-dimethyl-1,3-oxazol-3-yl)-1-phenylethanone is [H]/N=c1\oc(C)c(C)n1CC(=O)c1ccccc1.
What is the InChIKey of 2-(2-imino-4,5-dimethyl-1,3-oxazol-3-yl)-1-phenylethanone?
The InChIKey is FANFIHBYSOBDAM-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-10(2)17-13(14)15(9)8-12(16)11-6-4-3-5-7-11/h3-7,14H,8H2,1-2H3/b14-13-.
What are the key properties of 2-(2-imino-4,5-dimethyl-1,3-oxazol-3-yl)-1-phenylethanone?
2-(2-imino-4,5-dimethyl-1,3-oxazol-3-yl)-1-phenylethanone has a molecular weight of 230.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-4,5-dimethyl-1,3-oxazol-3-yl)-1-phenylethanone is sourced from PubChem (CID 10513642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).