2-amino-2-(5-chloro-2-methyl-1,3-benzoxazol-7-yl)ethanol

C10H11ClN2O2 — CID 83892709

IUPAC2-amino-2-(5-chloro-2-methyl-1,3-benzoxazol-7-yl)ethanol
SMILESCc1nc2cc(Cl)cc(C(N)CO)c2o1
InChIInChI=1S/C10H11ClN2O2/c1-5-13-9-3-6(11)2-7(8(12)4-14)10(9)15-5/h2-3,8,14H,4,12H2,1H3
InChIKeyGDJSZJDVCNECQP-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.78
Rot. Bonds2

About 2-amino-2-(5-chloro-2-methyl-1,3-benzoxazol-7-yl)ethanol

2-amino-2-(5-chloro-2-methyl-1,3-benzoxazol-7-yl)ethanol (PubChem CID 83892709) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 2-amino-2-(5-chloro-2-methyl-1,3-benzoxazol-7-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(5-chloro-2-methyl-1,3-benzoxazol-7-yl)ethanol
PubChem CID83892709
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name2-amino-2-(5-chloro-2-methyl-1,3-benzoxazol-7-yl)ethanol
SMILESCc1nc2cc(Cl)cc(C(N)CO)c2o1
InChIInChI=1S/C10H11ClN2O2/c1-5-13-9-3-6(11)2-7(8(12)4-14)10(9)15-5/h2-3,8,14H,4,12H2,1H3
InChIKeyGDJSZJDVCNECQP-UHFFFAOYSA-N
XLogP1.78
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)ethanol
CID 83892730
5-chloro-2-methyl-7-(trifluoromethyl)-1,3-benzoxazole
CID 82231721
5,7-dichloro-2-methyl-1,3-benzoxazole;ethyl hydrogen sulfate
CID 88803345
2-amino-2-(7-chloro-2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 83898908
2-amino-2-(5-chloro-3-methyl-2-propan-2-yloxyphenyl)ethanol
CID 83899736
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
(2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol
CID 96734857
2-amino-2-(6-chloro-4-methyl-3-pyridinyl)ethanol
CID 55272427
(2R)-2-amino-2-(2-amino-5-chloro-3-pyridinyl)ethanol
CID 130710939
5-chloro-2-methyl-6,7-di(propan-2-yl)-1,3-benzoxazole
CID 176945226
2-amino-2-(5-chloro-2-propan-2-ylphenyl)ethanol
CID 84680049
2-amino-2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)ethanol
CID 83892414

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-chloro-2-methyl-1,3-benzoxazol-7-yl)ethanol?
The IUPAC name of 2-amino-2-(5-chloro-2-methyl-1,3-benzoxazol-7-yl)ethanol (CID 83892709) is 2-amino-2-(5-chloro-2-methyl-1,3-benzoxazol-7-yl)ethanol.
What is the SMILES notation for 2-amino-2-(5-chloro-2-methyl-1,3-benzoxazol-7-yl)ethanol?
The canonical SMILES for 2-amino-2-(5-chloro-2-methyl-1,3-benzoxazol-7-yl)ethanol is Cc1nc2cc(Cl)cc(C(N)CO)c2o1.
What is the InChIKey of 2-amino-2-(5-chloro-2-methyl-1,3-benzoxazol-7-yl)ethanol?
The InChIKey is GDJSZJDVCNECQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-5-13-9-3-6(11)2-7(8(12)4-14)10(9)15-5/h2-3,8,14H,4,12H2,1H3.
What are the key properties of 2-amino-2-(5-chloro-2-methyl-1,3-benzoxazol-7-yl)ethanol?
2-amino-2-(5-chloro-2-methyl-1,3-benzoxazol-7-yl)ethanol has a molecular weight of 226.66 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-chloro-2-methyl-1,3-benzoxazol-7-yl)ethanol is sourced from PubChem (CID 83892709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).