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

C12H11N3O3 — CID 116831863

IUPAC6-(2-amino-5-methyl-1,3-oxazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
SMILESCc1oc(N)nc1-c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C12H11N3O3/c1-6-10(14-11(13)17-6)7-3-4-8-9(5-7)18-12(16)15(8)2/h3-5H,1-2H3,(H2,13,14)
InChIKeyLTVDGIJUBMCGEC-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.68
Rot. Bonds1

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

6-(2-amino-5-methyl-1,3-oxazol-4-yl)-3-methyl-1,3-benzoxazol-2-one (PubChem CID 116831863) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 6-(2-amino-5-methyl-1,3-oxazol-4-yl)-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(2-amino-5-methyl-1,3-oxazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
PubChem CID116831863
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name6-(2-amino-5-methyl-1,3-oxazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
SMILESCc1oc(N)nc1-c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C12H11N3O3/c1-6-10(14-11(13)17-6)7-3-4-8-9(5-7)18-12(16)15(8)2/h3-5H,1-2H3,(H2,13,14)
InChIKeyLTVDGIJUBMCGEC-UHFFFAOYSA-N
XLogP1.68
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 28913193
6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 116896986
3-methyl-6-(2-methyl-1H-imidazol-5-yl)-1,3-benzoxazol-2-one
CID 116883887
6-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one
CID 82090470
6-(2-hydrazinyl-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 116967996
6-chloro-3-methyl-1,3-benzoxazol-2-one
CID 843790
3-methyl-6-[4-(methylamino)-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one
CID 116864462
5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 82500452
4-[3-(aminomethyl)-4-methoxyphenyl]-5-methyl-1,3-oxazol-2-amine
CID 115039437
3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one
CID 134527822
5-methyl-4-(4-propylphenyl)-1,3-oxazol-2-amine
CID 116831794
6-[4-bromo-5-(methylaminomethyl)-1H-pyrazol-3-yl]-3-methyl-1,3-benzoxazol-2-one
CID 84611108

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-5-methyl-1,3-oxazol-4-yl)-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-(2-amino-5-methyl-1,3-oxazol-4-yl)-3-methyl-1,3-benzoxazol-2-one (CID 116831863) is 6-(2-amino-5-methyl-1,3-oxazol-4-yl)-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(2-amino-5-methyl-1,3-oxazol-4-yl)-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(2-amino-5-methyl-1,3-oxazol-4-yl)-3-methyl-1,3-benzoxazol-2-one is Cc1oc(N)nc1-c1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of 6-(2-amino-5-methyl-1,3-oxazol-4-yl)-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is LTVDGIJUBMCGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-6-10(14-11(13)17-6)7-3-4-8-9(5-7)18-12(16)15(8)2/h3-5H,1-2H3,(H2,13,14).
What are the key properties of 6-(2-amino-5-methyl-1,3-oxazol-4-yl)-3-methyl-1,3-benzoxazol-2-one?
6-(2-amino-5-methyl-1,3-oxazol-4-yl)-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 245.24 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-5-methyl-1,3-oxazol-4-yl)-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 116831863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).