3-(2-aminoethyl)-6-methyl-1,3-benzoxazol-2-one

C10H12N2O2 — CID 54013052

IUPAC3-(2-aminoethyl)-6-methyl-1,3-benzoxazol-2-one
SMILESCc1ccc2c(c1)oc(=O)n2CCN
InChIInChI=1S/C10H12N2O2/c1-7-2-3-8-9(6-7)14-10(13)12(8)5-4-11/h2-3,6H,4-5,11H2,1H3
InChIKeyKTSLCFZORKOOIR-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.86
Rot. Bonds2

About 3-(2-aminoethyl)-6-methyl-1,3-benzoxazol-2-one

3-(2-aminoethyl)-6-methyl-1,3-benzoxazol-2-one (PubChem CID 54013052) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-(2-aminoethyl)-6-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-6-methyl-1,3-benzoxazol-2-one
PubChem CID54013052
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name3-(2-aminoethyl)-6-methyl-1,3-benzoxazol-2-one
SMILESCc1ccc2c(c1)oc(=O)n2CCN
InChIInChI=1S/C10H12N2O2/c1-7-2-3-8-9(6-7)14-10(13)12(8)5-4-11/h2-3,6H,4-5,11H2,1H3
InChIKeyKTSLCFZORKOOIR-UHFFFAOYSA-N
XLogP0.86
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-6-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-(2-aminoethyl)-6-methyl-1,3-benzoxazol-2-one (CID 54013052) is 3-(2-aminoethyl)-6-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-6-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(2-aminoethyl)-6-methyl-1,3-benzoxazol-2-one is Cc1ccc2c(c1)oc(=O)n2CCN.
What is the InChIKey of 3-(2-aminoethyl)-6-methyl-1,3-benzoxazol-2-one?
The InChIKey is KTSLCFZORKOOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7-2-3-8-9(6-7)14-10(13)12(8)5-4-11/h2-3,6H,4-5,11H2,1H3.
What are the key properties of 3-(2-aminoethyl)-6-methyl-1,3-benzoxazol-2-one?
3-(2-aminoethyl)-6-methyl-1,3-benzoxazol-2-one has a molecular weight of 192.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-6-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 54013052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).