3-amino-1-(6-chloro-1,3-benzoxazol-2-yl)propan-1-ol

C10H11ClN2O2 — CID 107837473

IUPAC3-amino-1-(6-chloro-1,3-benzoxazol-2-yl)propan-1-ol
SMILESNCCC(O)c1nc2ccc(Cl)cc2o1
InChIInChI=1S/C10H11ClN2O2/c11-6-1-2-7-9(5-6)15-10(13-7)8(14)3-4-12/h1-2,5,8,14H,3-4,12H2
InChIKeyOXPOIUOELVZGGX-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.86
Rot. Bonds3

About 3-amino-1-(6-chloro-1,3-benzoxazol-2-yl)propan-1-ol

3-amino-1-(6-chloro-1,3-benzoxazol-2-yl)propan-1-ol (PubChem CID 107837473) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 3-amino-1-(6-chloro-1,3-benzoxazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(6-chloro-1,3-benzoxazol-2-yl)propan-1-ol
PubChem CID107837473
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name3-amino-1-(6-chloro-1,3-benzoxazol-2-yl)propan-1-ol
SMILESNCCC(O)c1nc2ccc(Cl)cc2o1
InChIInChI=1S/C10H11ClN2O2/c11-6-1-2-7-9(5-6)15-10(13-7)8(14)3-4-12/h1-2,5,8,14H,3-4,12H2
InChIKeyOXPOIUOELVZGGX-UHFFFAOYSA-N
XLogP1.86
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(6-methoxy-1,3-benzoxazol-2-yl)propan-1-ol
CID 107837480
6-chloro-2-pentan-3-yl-1,3-benzoxazole
CID 175910194
6-(6-chloro-1,3-benzoxazol-2-yl)heptan-2-amine
CID 81434305
3-amino-3-(5-chloro-1,3-benzoxazol-2-yl)propan-1-ol
CID 61229900
N'-(6-chloro-1,3-benzoxazol-2-yl)ethane-1,2-diamine
CID 83835155
3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 81434041
6-chloro-2-(chloromethyl)-1,3-benzoxazole
CID 16767389
3-amino-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107836623
(6-chloro-1,3-benzoxazol-2-yl)-[(3R)-pyrrolidin-3-yl]methanamine
CID 67075692
[1-(6-chloro-1,3-benzoxazol-2-yl)cyclobutyl]methanamine
CID 115446195
2-(5-chloro-1,3-benzoxazol-2-yl)butan-1-amine
CID 65221798
3-amino-1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-ol
CID 114006759

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-chloro-1,3-benzoxazol-2-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(6-chloro-1,3-benzoxazol-2-yl)propan-1-ol (CID 107837473) is 3-amino-1-(6-chloro-1,3-benzoxazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(6-chloro-1,3-benzoxazol-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(6-chloro-1,3-benzoxazol-2-yl)propan-1-ol is NCCC(O)c1nc2ccc(Cl)cc2o1.
What is the InChIKey of 3-amino-1-(6-chloro-1,3-benzoxazol-2-yl)propan-1-ol?
The InChIKey is OXPOIUOELVZGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-6-1-2-7-9(5-6)15-10(13-7)8(14)3-4-12/h1-2,5,8,14H,3-4,12H2.
What are the key properties of 3-amino-1-(6-chloro-1,3-benzoxazol-2-yl)propan-1-ol?
3-amino-1-(6-chloro-1,3-benzoxazol-2-yl)propan-1-ol has a molecular weight of 226.66 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-chloro-1,3-benzoxazol-2-yl)propan-1-ol is sourced from PubChem (CID 107837473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).