2-amino-1-(4-chloro-2-methyl-1,3-benzoxazol-6-yl)ethanol

C10H11ClN2O2 — CID 22021331

IUPAC2-amino-1-(4-chloro-2-methyl-1,3-benzoxazol-6-yl)ethanol
SMILESCc1nc2c(Cl)cc(C(O)CN)cc2o1
InChIInChI=1S/C10H11ClN2O2/c1-5-13-10-7(11)2-6(8(14)4-12)3-9(10)15-5/h2-3,8,14H,4,12H2,1H3
InChIKeyYRBPPIDRETYLHQ-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.78
Rot. Bonds2

About 2-amino-1-(4-chloro-2-methyl-1,3-benzoxazol-6-yl)ethanol

2-amino-1-(4-chloro-2-methyl-1,3-benzoxazol-6-yl)ethanol (PubChem CID 22021331) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 2-amino-1-(4-chloro-2-methyl-1,3-benzoxazol-6-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(4-chloro-2-methyl-1,3-benzoxazol-6-yl)ethanol
PubChem CID22021331
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name2-amino-1-(4-chloro-2-methyl-1,3-benzoxazol-6-yl)ethanol
SMILESCc1nc2c(Cl)cc(C(O)CN)cc2o1
InChIInChI=1S/C10H11ClN2O2/c1-5-13-10-7(11)2-6(8(14)4-12)3-9(10)15-5/h2-3,8,14H,4,12H2,1H3
InChIKeyYRBPPIDRETYLHQ-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-1-(3-chloro-4-fluoro-5-methylphenyl)ethanol
CID 84671959
2-amino-1-(4-chloro-3,5-dimethylphenyl)ethanol
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CID 83903514
1-(4-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol
CID 175597034
(1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol
CID 95944344
2-amino-1-(7-chloro-1-methylindol-5-yl)ethanol
CID 22021579
(1R)-2-amino-1-(4-amino-3-bromo-5-chlorophenyl)ethanol
CID 54051332
(1R)-2-amino-1-(3-chloro-4-methylsulfanylphenyl)ethanol
CID 54071116
3-methyl-2-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
CID 82493584
2-bromo-1-(2-methyl-1,3-benzoxazol-6-yl)ethanol
CID 116863243
2-amino-1-(5-chloro-4-methyl-3-pyridinyl)ethanol
CID 83876708
7-bromo-4,6-dichloro-2-methyl-1,3-benzoxazole
CID 82233655

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chloro-2-methyl-1,3-benzoxazol-6-yl)ethanol?
The IUPAC name of 2-amino-1-(4-chloro-2-methyl-1,3-benzoxazol-6-yl)ethanol (CID 22021331) is 2-amino-1-(4-chloro-2-methyl-1,3-benzoxazol-6-yl)ethanol.
What is the SMILES notation for 2-amino-1-(4-chloro-2-methyl-1,3-benzoxazol-6-yl)ethanol?
The canonical SMILES for 2-amino-1-(4-chloro-2-methyl-1,3-benzoxazol-6-yl)ethanol is Cc1nc2c(Cl)cc(C(O)CN)cc2o1.
What is the InChIKey of 2-amino-1-(4-chloro-2-methyl-1,3-benzoxazol-6-yl)ethanol?
The InChIKey is YRBPPIDRETYLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-5-13-10-7(11)2-6(8(14)4-12)3-9(10)15-5/h2-3,8,14H,4,12H2,1H3.
What are the key properties of 2-amino-1-(4-chloro-2-methyl-1,3-benzoxazol-6-yl)ethanol?
2-amino-1-(4-chloro-2-methyl-1,3-benzoxazol-6-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-1-(4-chloro-2-methyl-1,3-benzoxazol-6-yl)ethanol is sourced from PubChem (CID 22021331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).