6-[2-(1-aminocyclopropyl)ethyl]-2-methyl-1,3-benzoxazol-7-ol

C13H16N2O2 — CID 105491077

IUPAC6-[2-(1-aminocyclopropyl)ethyl]-2-methyl-1,3-benzoxazol-7-ol
SMILESCc1nc2ccc(CCC3(N)CC3)c(O)c2o1
InChIInChI=1S/C13H16N2O2/c1-8-15-10-3-2-9(11(16)12(10)17-8)4-5-13(14)6-7-13/h2-3,16H,4-7,14H2,1H3
InChIKeyZDESGPRWSPLBOG-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.27
Rot. Bonds3

About 6-[2-(1-aminocyclopropyl)ethyl]-2-methyl-1,3-benzoxazol-7-ol

6-[2-(1-aminocyclopropyl)ethyl]-2-methyl-1,3-benzoxazol-7-ol (PubChem CID 105491077) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-[2-(1-aminocyclopropyl)ethyl]-2-methyl-1,3-benzoxazol-7-ol.

Molecular Properties

Compound Name6-[2-(1-aminocyclopropyl)ethyl]-2-methyl-1,3-benzoxazol-7-ol
PubChem CID105491077
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name6-[2-(1-aminocyclopropyl)ethyl]-2-methyl-1,3-benzoxazol-7-ol
SMILESCc1nc2ccc(CCC3(N)CC3)c(O)c2o1
InChIInChI=1S/C13H16N2O2/c1-8-15-10-3-2-9(11(16)12(10)17-8)4-5-13(14)6-7-13/h2-3,16H,4-7,14H2,1H3
InChIKeyZDESGPRWSPLBOG-UHFFFAOYSA-N
XLogP2.27
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-aminocyclopropyl)-2-methyl-1,3-benzoxazol-7-ol
CID 84777802
2-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)acetic acid
CID 84779330
1-[2-(2-methyl-1-benzofuran-7-yl)ethyl]cyclopropan-1-amine
CID 105468832
6-(4-aminobutan-2-yl)-2-methyl-1,3-benzoxazol-7-ol
CID 84787439
2-[2-(1-aminocyclopropyl)ethyl]-5-fluorophenol
CID 105448984
2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-methylphenol
CID 105463029
2,7-dimethyl-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole
CID 118531010
1-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)-2-(methylamino)ethanone
CID 84787306
1-(2-naphthalen-1-ylethyl)cyclopropan-1-amine
CID 23106129
1-[2-(3-chloro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105481536
1-[[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]methyl]cyclopropan-1-amine
CID 115257069
1-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]cyclopropan-1-amine
CID 105433076

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-aminocyclopropyl)ethyl]-2-methyl-1,3-benzoxazol-7-ol?
The IUPAC name of 6-[2-(1-aminocyclopropyl)ethyl]-2-methyl-1,3-benzoxazol-7-ol (CID 105491077) is 6-[2-(1-aminocyclopropyl)ethyl]-2-methyl-1,3-benzoxazol-7-ol.
What is the SMILES notation for 6-[2-(1-aminocyclopropyl)ethyl]-2-methyl-1,3-benzoxazol-7-ol?
The canonical SMILES for 6-[2-(1-aminocyclopropyl)ethyl]-2-methyl-1,3-benzoxazol-7-ol is Cc1nc2ccc(CCC3(N)CC3)c(O)c2o1.
What is the InChIKey of 6-[2-(1-aminocyclopropyl)ethyl]-2-methyl-1,3-benzoxazol-7-ol?
The InChIKey is ZDESGPRWSPLBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-15-10-3-2-9(11(16)12(10)17-8)4-5-13(14)6-7-13/h2-3,16H,4-7,14H2,1H3.
What are the key properties of 6-[2-(1-aminocyclopropyl)ethyl]-2-methyl-1,3-benzoxazol-7-ol?
6-[2-(1-aminocyclopropyl)ethyl]-2-methyl-1,3-benzoxazol-7-ol has a molecular weight of 232.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-aminocyclopropyl)ethyl]-2-methyl-1,3-benzoxazol-7-ol is sourced from PubChem (CID 105491077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).