1-methyl-3-(1,2-oxazol-5-ylmethyl)imidazol-2-one

C8H9N3O2 — CID 116624467

IUPAC1-methyl-3-(1,2-oxazol-5-ylmethyl)imidazol-2-one
SMILESCn1ccn(Cc2ccno2)c1=O
InChIInChI=1S/C8H9N3O2/c1-10-4-5-11(8(10)12)6-7-2-3-9-13-7/h2-5H,6H2,1H3
InChIKeyKGFLLDJRCQZPIZ-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.22
Rot. Bonds2

About 1-methyl-3-(1,2-oxazol-5-ylmethyl)imidazol-2-one

1-methyl-3-(1,2-oxazol-5-ylmethyl)imidazol-2-one (PubChem CID 116624467) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 1-methyl-3-(1,2-oxazol-5-ylmethyl)imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-(1,2-oxazol-5-ylmethyl)imidazol-2-one
PubChem CID116624467
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name1-methyl-3-(1,2-oxazol-5-ylmethyl)imidazol-2-one
SMILESCn1ccn(Cc2ccno2)c1=O
InChIInChI=1S/C8H9N3O2/c1-10-4-5-11(8(10)12)6-7-2-3-9-13-7/h2-5H,6H2,1H3
InChIKeyKGFLLDJRCQZPIZ-UHFFFAOYSA-N
XLogP0.22
TPSA52.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,2-oxazol-5-ylmethyl)imidazol-2-one?
The IUPAC name of 1-methyl-3-(1,2-oxazol-5-ylmethyl)imidazol-2-one (CID 116624467) is 1-methyl-3-(1,2-oxazol-5-ylmethyl)imidazol-2-one.
What is the SMILES notation for 1-methyl-3-(1,2-oxazol-5-ylmethyl)imidazol-2-one?
The canonical SMILES for 1-methyl-3-(1,2-oxazol-5-ylmethyl)imidazol-2-one is Cn1ccn(Cc2ccno2)c1=O.
What is the InChIKey of 1-methyl-3-(1,2-oxazol-5-ylmethyl)imidazol-2-one?
The InChIKey is KGFLLDJRCQZPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-10-4-5-11(8(10)12)6-7-2-3-9-13-7/h2-5H,6H2,1H3.
What are the key properties of 1-methyl-3-(1,2-oxazol-5-ylmethyl)imidazol-2-one?
1-methyl-3-(1,2-oxazol-5-ylmethyl)imidazol-2-one has a molecular weight of 179.18 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,2-oxazol-5-ylmethyl)imidazol-2-one is sourced from PubChem (CID 116624467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).