3-(2-aminopropyl)-1,2-benzoxazol-7-ol

C10H12N2O2 — CID 84663914

IUPAC3-(2-aminopropyl)-1,2-benzoxazol-7-ol
SMILESCC(N)Cc1noc2c(O)cccc12
InChIInChI=1S/C10H12N2O2/c1-6(11)5-8-7-3-2-4-9(13)10(7)14-12-8/h2-4,6,13H,5,11H2,1H3
InChIKeyDUZDPJPSUHZAGO-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.42
Rot. Bonds2

About 3-(2-aminopropyl)-1,2-benzoxazol-7-ol

3-(2-aminopropyl)-1,2-benzoxazol-7-ol (PubChem CID 84663914) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-(2-aminopropyl)-1,2-benzoxazol-7-ol.

Molecular Properties

Compound Name3-(2-aminopropyl)-1,2-benzoxazol-7-ol
PubChem CID84663914
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name3-(2-aminopropyl)-1,2-benzoxazol-7-ol
SMILESCC(N)Cc1noc2c(O)cccc12
InChIInChI=1S/C10H12N2O2/c1-6(11)5-8-7-3-2-4-9(13)10(7)14-12-8/h2-4,6,13H,5,11H2,1H3
InChIKeyDUZDPJPSUHZAGO-UHFFFAOYSA-N
XLogP1.42
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-hydroxy-1,2-benzoxazol-3-yl)propanoic acid
CID 84674857
3-(2-methylpropyl)-1,2-benzoxazole
CID 20826787
3-(2-aminoethoxy)-1,2-benzoxazol-7-ol
CID 84665269
3-(piperidin-2-ylmethyl)-1,2-benzoxazol-7-ol
CID 84695678
1-(4,5-dimethyl-1,2-oxazol-3-yl)propan-2-amine
CID 82416563
3-[(2R)-2-aminopropyl]-2-bromophenol
CID 130742864
7-hydroxy-1,2-benzoxazole-3-carboxylic acid
CID 84656727
actinium;3-(2-hydroxypropyl)-2-methyl-1-benzofuran-7-ol
CID 20708357
2-[(7-hydroxy-1,2-benzoxazol-3-yl)oxy]acetic acid
CID 84676549
2-(1,2-benzoxazol-3-yl)-1-methoxyethanol
CID 152805743
[2-(2-aminopropyl)-3-benzoyl-5-hydroxy-4-pyridinyl]-phenylmethanone
CID 23467138
1-(7-methoxy-1-methylindazol-3-yl)propan-2-amine
CID 83910284

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropyl)-1,2-benzoxazol-7-ol?
The IUPAC name of 3-(2-aminopropyl)-1,2-benzoxazol-7-ol (CID 84663914) is 3-(2-aminopropyl)-1,2-benzoxazol-7-ol.
What is the SMILES notation for 3-(2-aminopropyl)-1,2-benzoxazol-7-ol?
The canonical SMILES for 3-(2-aminopropyl)-1,2-benzoxazol-7-ol is CC(N)Cc1noc2c(O)cccc12.
What is the InChIKey of 3-(2-aminopropyl)-1,2-benzoxazol-7-ol?
The InChIKey is DUZDPJPSUHZAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-6(11)5-8-7-3-2-4-9(13)10(7)14-12-8/h2-4,6,13H,5,11H2,1H3.
What are the key properties of 3-(2-aminopropyl)-1,2-benzoxazol-7-ol?
3-(2-aminopropyl)-1,2-benzoxazol-7-ol has a molecular weight of 192.22 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropyl)-1,2-benzoxazol-7-ol is sourced from PubChem (CID 84663914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).