6-(2-amino-2-methylpropyl)-1,3-benzoxazol-7-ol

C11H14N2O2 — CID 84779072

IUPAC6-(2-amino-2-methylpropyl)-1,3-benzoxazol-7-ol
SMILESCC(C)(N)Cc1ccc2ncoc2c1O
InChIInChI=1S/C11H14N2O2/c1-11(2,12)5-7-3-4-8-10(9(7)14)15-6-13-8/h3-4,6,14H,5,12H2,1-2H3
InChIKeyIHUAQQAFCGJGPN-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.81
Rot. Bonds2

About 6-(2-amino-2-methylpropyl)-1,3-benzoxazol-7-ol

6-(2-amino-2-methylpropyl)-1,3-benzoxazol-7-ol (PubChem CID 84779072) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 6-(2-amino-2-methylpropyl)-1,3-benzoxazol-7-ol.

Molecular Properties

Compound Name6-(2-amino-2-methylpropyl)-1,3-benzoxazol-7-ol
PubChem CID84779072
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name6-(2-amino-2-methylpropyl)-1,3-benzoxazol-7-ol
SMILESCC(C)(N)Cc1ccc2ncoc2c1O
InChIInChI=1S/C11H14N2O2/c1-11(2,12)5-7-3-4-8-10(9(7)14)15-6-13-8/h3-4,6,14H,5,12H2,1-2H3
InChIKeyIHUAQQAFCGJGPN-UHFFFAOYSA-N
XLogP1.81
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-[4-(Dimethylamino)phenyl]-1,3-oxazol-4-yl]-2,3-dimethoxyaniline;hydrochloride
CID 52943421
(E)-N-(1,3-benzoxazol-4-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 45377982
1,3-Benzoxazol-7-ol
CID 20242116
5-[5-[4-(Dimethylamino)phenyl]-1,3-oxazol-4-yl]-2,3-dimethoxyaniline
CID 46938711
2-Methoxy-6-({[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)phenol
CID 1040028
4-Fluoro-6-propan-2-yl-1,3-benzoxazol-5-ol
CID 177078796
Oxazolobenzoxazine
CID 129761799
6-Methylpyrano[3,2-g][1,3]benzoxazol-8-one
CID 134911765
1-(1,3-Benzoxazol-6-yl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839440
4,6-Bis(tert-butyl)-2-[4-(dimethylamino)phenyl]benzoxazol-7-ol
CID 1894571
1-(1,3-Benzoxazol-6-yl)ethanol
CID 20358706
2-(7-Methoxy-1,3-benzoxazol-4-yl)propanenitrile
CID 22614788

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-2-methylpropyl)-1,3-benzoxazol-7-ol?
The IUPAC name of 6-(2-amino-2-methylpropyl)-1,3-benzoxazol-7-ol (CID 84779072) is 6-(2-amino-2-methylpropyl)-1,3-benzoxazol-7-ol.
What is the SMILES notation for 6-(2-amino-2-methylpropyl)-1,3-benzoxazol-7-ol?
The canonical SMILES for 6-(2-amino-2-methylpropyl)-1,3-benzoxazol-7-ol is CC(C)(N)Cc1ccc2ncoc2c1O.
What is the InChIKey of 6-(2-amino-2-methylpropyl)-1,3-benzoxazol-7-ol?
The InChIKey is IHUAQQAFCGJGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(2,12)5-7-3-4-8-10(9(7)14)15-6-13-8/h3-4,6,14H,5,12H2,1-2H3.
What are the key properties of 6-(2-amino-2-methylpropyl)-1,3-benzoxazol-7-ol?
6-(2-amino-2-methylpropyl)-1,3-benzoxazol-7-ol has a molecular weight of 206.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-2-methylpropyl)-1,3-benzoxazol-7-ol is sourced from PubChem (CID 84779072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).