4-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol

C10H16N2O2 — CID 83907977

IUPAC4-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol
SMILESCc1noc2c1C(O)(CCN)CCC2
InChIInChI=1S/C10H16N2O2/c1-7-9-8(14-12-7)3-2-4-10(9,13)5-6-11/h13H,2-6,11H2,1H3
InChIKeyIDNBFIFYPUDREZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.86
Rot. Bonds2

About 4-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol

4-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol (PubChem CID 83907977) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol.

Molecular Properties

Compound Name4-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol
PubChem CID83907977
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol
SMILESCc1noc2c1C(O)(CCN)CCC2
InChIInChI=1S/C10H16N2O2/c1-7-9-8(14-12-7)3-2-4-10(9,13)5-6-11/h13H,2-6,11H2,1H3
InChIKeyIDNBFIFYPUDREZ-UHFFFAOYSA-N
XLogP0.86
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol?
The IUPAC name of 4-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol (CID 83907977) is 4-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol.
What is the SMILES notation for 4-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol?
The canonical SMILES for 4-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol is Cc1noc2c1C(O)(CCN)CCC2.
What is the InChIKey of 4-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol?
The InChIKey is IDNBFIFYPUDREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7-9-8(14-12-7)3-2-4-10(9,13)5-6-11/h13H,2-6,11H2,1H3.
What are the key properties of 4-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol?
4-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol has a molecular weight of 196.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol is sourced from PubChem (CID 83907977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).