6-(4-aminobutan-2-yl)-2-methyl-1,3-benzoxazol-7-ol

C12H16N2O2 — CID 84787439

IUPAC6-(4-aminobutan-2-yl)-2-methyl-1,3-benzoxazol-7-ol
SMILESCc1nc2ccc(C(C)CCN)c(O)c2o1
InChIInChI=1S/C12H16N2O2/c1-7(5-6-13)9-3-4-10-12(11(9)15)16-8(2)14-10/h3-4,7,15H,5-6,13H2,1-2H3
InChIKeyMGIRLIWVTOGFTO-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.29
Rot. Bonds3

About 6-(4-aminobutan-2-yl)-2-methyl-1,3-benzoxazol-7-ol

6-(4-aminobutan-2-yl)-2-methyl-1,3-benzoxazol-7-ol (PubChem CID 84787439) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-(4-aminobutan-2-yl)-2-methyl-1,3-benzoxazol-7-ol.

Molecular Properties

Compound Name6-(4-aminobutan-2-yl)-2-methyl-1,3-benzoxazol-7-ol
PubChem CID84787439
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name6-(4-aminobutan-2-yl)-2-methyl-1,3-benzoxazol-7-ol
SMILESCc1nc2ccc(C(C)CCN)c(O)c2o1
InChIInChI=1S/C12H16N2O2/c1-7(5-6-13)9-3-4-10-12(11(9)15)16-8(2)14-10/h3-4,7,15H,5-6,13H2,1-2H3
InChIKeyMGIRLIWVTOGFTO-UHFFFAOYSA-N
XLogP2.29
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)acetic acid
CID 84779330
6-(1-aminocyclopropyl)-2-methyl-1,3-benzoxazol-7-ol
CID 84777802
6-[2-(1-aminocyclopropyl)ethyl]-2-methyl-1,3-benzoxazol-7-ol
CID 105491077
6-(4-aminobutan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-ol
CID 117319949
2,7-dimethyl-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole
CID 118531010
7-fluoro-2,6-dimethyl-1,3-benzoxazole
CID 20785549
7-(4-aminobutan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-6-ol
CID 117346970
1-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)-2-(methylamino)ethanone
CID 84787306
3-(5-methyl-1,2-oxazol-4-yl)butan-1-amine
CID 82416594
2-(4-aminobutan-2-yl)-6-ethylphenol
CID 117284201
4-(4-aminobutan-2-yl)-3-bromophenol
CID 82622374
4-amino-1-(2-methyl-1,3-benzoxazol-5-yl)butane-1,2-diol
CID 171881491

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminobutan-2-yl)-2-methyl-1,3-benzoxazol-7-ol?
The IUPAC name of 6-(4-aminobutan-2-yl)-2-methyl-1,3-benzoxazol-7-ol (CID 84787439) is 6-(4-aminobutan-2-yl)-2-methyl-1,3-benzoxazol-7-ol.
What is the SMILES notation for 6-(4-aminobutan-2-yl)-2-methyl-1,3-benzoxazol-7-ol?
The canonical SMILES for 6-(4-aminobutan-2-yl)-2-methyl-1,3-benzoxazol-7-ol is Cc1nc2ccc(C(C)CCN)c(O)c2o1.
What is the InChIKey of 6-(4-aminobutan-2-yl)-2-methyl-1,3-benzoxazol-7-ol?
The InChIKey is MGIRLIWVTOGFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7(5-6-13)9-3-4-10-12(11(9)15)16-8(2)14-10/h3-4,7,15H,5-6,13H2,1-2H3.
What are the key properties of 6-(4-aminobutan-2-yl)-2-methyl-1,3-benzoxazol-7-ol?
6-(4-aminobutan-2-yl)-2-methyl-1,3-benzoxazol-7-ol has a molecular weight of 220.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminobutan-2-yl)-2-methyl-1,3-benzoxazol-7-ol is sourced from PubChem (CID 84787439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).