1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-3-propan-2-ylimidazol-2-one

C15H16N4O2 — CID 117457742

IUPAC1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(-c2ccc(-c3cnoc3N)cc2)c1=O
InChIInChI=1S/C15H16N4O2/c1-10(2)18-7-8-19(15(18)20)12-5-3-11(4-6-12)13-9-17-21-14(13)16/h3-10H,16H2,1-2H3
InChIKeyRIBPZXQRJUQGFT-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.46
Rot. Bonds3

About 1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-3-propan-2-ylimidazol-2-one

1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-3-propan-2-ylimidazol-2-one (PubChem CID 117457742) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-3-propan-2-ylimidazol-2-one
PubChem CID117457742
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(-c2ccc(-c3cnoc3N)cc2)c1=O
InChIInChI=1S/C15H16N4O2/c1-10(2)18-7-8-19(15(18)20)12-5-3-11(4-6-12)13-9-17-21-14(13)16/h3-10H,16H2,1-2H3
InChIKeyRIBPZXQRJUQGFT-UHFFFAOYSA-N
XLogP2.46
TPSA78.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-3-propan-2-ylimidazol-2-one (CID 117457742) is 1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-3-propan-2-ylimidazol-2-one is CC(C)n1ccn(-c2ccc(-c3cnoc3N)cc2)c1=O.
What is the InChIKey of 1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-3-propan-2-ylimidazol-2-one?
The InChIKey is RIBPZXQRJUQGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10(2)18-7-8-19(15(18)20)12-5-3-11(4-6-12)13-9-17-21-14(13)16/h3-10H,16H2,1-2H3.
What are the key properties of 1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-3-propan-2-ylimidazol-2-one?
1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-3-propan-2-ylimidazol-2-one has a molecular weight of 284.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 117457742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).