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

C13H13N3O3 — CID 117401361

IUPAC5-(3-amino-1,2-oxazol-5-yl)-3-propan-2-yl-1,3-benzoxazol-2-one
SMILESCC(C)n1c(=O)oc2ccc(-c3cc(N)no3)cc21
InChIInChI=1S/C13H13N3O3/c1-7(2)16-9-5-8(11-6-12(14)15-19-11)3-4-10(9)18-13(16)17/h3-7H,1-2H3,(H2,14,15)
InChIKeyMUHVMOLBPKPWKJ-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.41
Rot. Bonds2

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

5-(3-amino-1,2-oxazol-5-yl)-3-propan-2-yl-1,3-benzoxazol-2-one (PubChem CID 117401361) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-(3-amino-1,2-oxazol-5-yl)-3-propan-2-yl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(3-amino-1,2-oxazol-5-yl)-3-propan-2-yl-1,3-benzoxazol-2-one
PubChem CID117401361
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name5-(3-amino-1,2-oxazol-5-yl)-3-propan-2-yl-1,3-benzoxazol-2-one
SMILESCC(C)n1c(=O)oc2ccc(-c3cc(N)no3)cc21
InChIInChI=1S/C13H13N3O3/c1-7(2)16-9-5-8(11-6-12(14)15-19-11)3-4-10(9)18-13(16)17/h3-7H,1-2H3,(H2,14,15)
InChIKeyMUHVMOLBPKPWKJ-UHFFFAOYSA-N
XLogP2.41
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-methylpropyl)-3-propan-2-yl-1,3-benzoxazol-2-one
CID 59379708
5-(1-aminopropan-2-yl)-3-propan-2-yl-1,3-benzoxazol-2-one
CID 117340798
5-(aminooxymethyl)-3-propan-2-yl-1,3-benzoxazol-2-one
CID 117317967
methyl 2-oxo-3-propan-2-yl-1,3-benzoxazole-5-carboxylate
CID 167310876
5-[(E)-3-aminoprop-1-enyl]-3-propan-2-yl-1,3-benzoxazol-2-one
CID 117336556
3-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 122696847
5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 64983047
6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one
CID 53139359
7-(3-amino-1,2-oxazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117359646
5-[4-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine
CID 117326392
6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one
CID 89210533
1-propan-2-yl-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 122697151

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-1,2-oxazol-5-yl)-3-propan-2-yl-1,3-benzoxazol-2-one?
The IUPAC name of 5-(3-amino-1,2-oxazol-5-yl)-3-propan-2-yl-1,3-benzoxazol-2-one (CID 117401361) is 5-(3-amino-1,2-oxazol-5-yl)-3-propan-2-yl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(3-amino-1,2-oxazol-5-yl)-3-propan-2-yl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(3-amino-1,2-oxazol-5-yl)-3-propan-2-yl-1,3-benzoxazol-2-one is CC(C)n1c(=O)oc2ccc(-c3cc(N)no3)cc21.
What is the InChIKey of 5-(3-amino-1,2-oxazol-5-yl)-3-propan-2-yl-1,3-benzoxazol-2-one?
The InChIKey is MUHVMOLBPKPWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-7(2)16-9-5-8(11-6-12(14)15-19-11)3-4-10(9)18-13(16)17/h3-7H,1-2H3,(H2,14,15).
What are the key properties of 5-(3-amino-1,2-oxazol-5-yl)-3-propan-2-yl-1,3-benzoxazol-2-one?
5-(3-amino-1,2-oxazol-5-yl)-3-propan-2-yl-1,3-benzoxazol-2-one has a molecular weight of 259.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-1,2-oxazol-5-yl)-3-propan-2-yl-1,3-benzoxazol-2-one is sourced from PubChem (CID 117401361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).