4-amino-3-benzyl-2H-1,2-oxazol-5-one

C10H10N2O2 — CID 154256799

IUPAC4-amino-3-benzyl-2H-1,2-oxazol-5-one
SMILESNc1c(Cc2ccccc2)[nH]oc1=O
InChIInChI=1S/C10H10N2O2/c11-9-8(12-14-10(9)13)6-7-4-2-1-3-5-7/h1-5,12H,6,11H2
InChIKeyIFYYICNAZXBLPQ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.14
Rot. Bonds2

About 4-amino-3-benzyl-2H-1,2-oxazol-5-one

4-amino-3-benzyl-2H-1,2-oxazol-5-one (PubChem CID 154256799) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-amino-3-benzyl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-amino-3-benzyl-2H-1,2-oxazol-5-one
PubChem CID154256799
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name4-amino-3-benzyl-2H-1,2-oxazol-5-one
SMILESNc1c(Cc2ccccc2)[nH]oc1=O
InChIInChI=1S/C10H10N2O2/c11-9-8(12-14-10(9)13)6-7-4-2-1-3-5-7/h1-5,12H,6,11H2
InChIKeyIFYYICNAZXBLPQ-UHFFFAOYSA-N
XLogP1.14
TPSA72.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-benzyl-2H-1,2-oxazol-5-one?
The IUPAC name of 4-amino-3-benzyl-2H-1,2-oxazol-5-one (CID 154256799) is 4-amino-3-benzyl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 4-amino-3-benzyl-2H-1,2-oxazol-5-one?
The canonical SMILES for 4-amino-3-benzyl-2H-1,2-oxazol-5-one is Nc1c(Cc2ccccc2)[nH]oc1=O.
What is the InChIKey of 4-amino-3-benzyl-2H-1,2-oxazol-5-one?
The InChIKey is IFYYICNAZXBLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-9-8(12-14-10(9)13)6-7-4-2-1-3-5-7/h1-5,12H,6,11H2.
What are the key properties of 4-amino-3-benzyl-2H-1,2-oxazol-5-one?
4-amino-3-benzyl-2H-1,2-oxazol-5-one has a molecular weight of 190.20 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-benzyl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 154256799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).