6-(2-amino-4-propan-2-yl-1,3-oxazol-5-yl)-3H-1,3-benzoxazol-2-one

C13H13N3O3 — CID 116832176

IUPAC6-(2-amino-4-propan-2-yl-1,3-oxazol-5-yl)-3H-1,3-benzoxazol-2-one
SMILESCC(C)c1nc(N)oc1-c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C13H13N3O3/c1-6(2)10-11(19-12(14)16-10)7-3-4-8-9(5-7)18-13(17)15-8/h3-6H,1-2H3,(H2,14,16)(H,15,17)
InChIKeyJUCOISIMENMLEZ-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.48
Rot. Bonds2

About 6-(2-amino-4-propan-2-yl-1,3-oxazol-5-yl)-3H-1,3-benzoxazol-2-one

6-(2-amino-4-propan-2-yl-1,3-oxazol-5-yl)-3H-1,3-benzoxazol-2-one (PubChem CID 116832176) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 6-(2-amino-4-propan-2-yl-1,3-oxazol-5-yl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(2-amino-4-propan-2-yl-1,3-oxazol-5-yl)-3H-1,3-benzoxazol-2-one
PubChem CID116832176
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name6-(2-amino-4-propan-2-yl-1,3-oxazol-5-yl)-3H-1,3-benzoxazol-2-one
SMILESCC(C)c1nc(N)oc1-c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C13H13N3O3/c1-6(2)10-11(19-12(14)16-10)7-3-4-8-9(5-7)18-13(17)15-8/h3-6H,1-2H3,(H2,14,16)(H,15,17)
InChIKeyJUCOISIMENMLEZ-UHFFFAOYSA-N
XLogP2.48
TPSA98.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
CID 22693688
6-(5-amino-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-3H-1,3-benzoxazol-2-one
CID 82068607
6-amino-3H-1,3-benzoxazol-2-one;chloroform
CID 161389670
6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 43139983
6-(2-methylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one
CID 116869188
3-(2-oxo-3H-1,3-benzoxazol-6-yl)-1H-pyrazole-5-carbaldehyde
CID 84761476
4-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrimidine-5-carbonitrile
CID 116865152
6-pyridin-3-yl-3H-1,3-benzoxazol-2-one
CID 58255623
6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one;hydrochloride
CID 54592974
6-[2-(methylamino)-1,3-oxazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 116832547
6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 17456976
6-[1-amino-2-methyl-2-(methylamino)propyl]-3H-1,3-benzoxazol-2-one
CID 116938938

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-4-propan-2-yl-1,3-oxazol-5-yl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(2-amino-4-propan-2-yl-1,3-oxazol-5-yl)-3H-1,3-benzoxazol-2-one (CID 116832176) is 6-(2-amino-4-propan-2-yl-1,3-oxazol-5-yl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(2-amino-4-propan-2-yl-1,3-oxazol-5-yl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(2-amino-4-propan-2-yl-1,3-oxazol-5-yl)-3H-1,3-benzoxazol-2-one is CC(C)c1nc(N)oc1-c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-(2-amino-4-propan-2-yl-1,3-oxazol-5-yl)-3H-1,3-benzoxazol-2-one?
The InChIKey is JUCOISIMENMLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-6(2)10-11(19-12(14)16-10)7-3-4-8-9(5-7)18-13(17)15-8/h3-6H,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of 6-(2-amino-4-propan-2-yl-1,3-oxazol-5-yl)-3H-1,3-benzoxazol-2-one?
6-(2-amino-4-propan-2-yl-1,3-oxazol-5-yl)-3H-1,3-benzoxazol-2-one has a molecular weight of 259.26 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-4-propan-2-yl-1,3-oxazol-5-yl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 116832176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).