3-amino-3-(5-chloro-1,3-benzoxazol-2-yl)propan-1-ol

C10H11ClN2O2 — CID 61229900

IUPAC3-amino-3-(5-chloro-1,3-benzoxazol-2-yl)propan-1-ol
SMILESNC(CCO)c1nc2cc(Cl)ccc2o1
InChIInChI=1S/C10H11ClN2O2/c11-6-1-2-9-8(5-6)13-10(15-9)7(12)3-4-14/h1-2,5,7,14H,3-4,12H2
InChIKeyKCWBEOZYDYTRST-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.86
Rot. Bonds3

About 3-amino-3-(5-chloro-1,3-benzoxazol-2-yl)propan-1-ol

3-amino-3-(5-chloro-1,3-benzoxazol-2-yl)propan-1-ol (PubChem CID 61229900) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 3-amino-3-(5-chloro-1,3-benzoxazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(5-chloro-1,3-benzoxazol-2-yl)propan-1-ol
PubChem CID61229900
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name3-amino-3-(5-chloro-1,3-benzoxazol-2-yl)propan-1-ol
SMILESNC(CCO)c1nc2cc(Cl)ccc2o1
InChIInChI=1S/C10H11ClN2O2/c11-6-1-2-9-8(5-6)13-10(15-9)7(12)3-4-14/h1-2,5,7,14H,3-4,12H2
InChIKeyKCWBEOZYDYTRST-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-3-(5-tert-butyl-1,3-benzoxazol-2-yl)propan-1-ol
CID 61229902
5-chloro-2-(1-chloroethyl)-1,3-benzoxazole
CID 43115623
2-(5-chloro-1,3-benzoxazol-2-yl)butan-1-amine
CID 65221798
(R)-(5-chloro-1,3-benzoxazol-2-yl)-phenylmethanol
CID 92965984
(2S)-2-amino-1-(5-chloro-1,3-benzoxazol-2-yl)-6-(methylamino)hexan-1-ol
CID 70309332
1-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-3-methoxypropan-1-amine
CID 82720450
3-amino-1-(6-chloro-1,3-benzoxazol-2-yl)propan-1-ol
CID 107837473
5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
CID 827452
6-(6-chloro-1,3-benzoxazol-2-yl)heptan-2-amine
CID 81434305
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
(3R)-3-amino-3-(2-amino-5-chlorophenyl)propan-1-ol
CID 131144046
3-amino-3-(4-methyl-1,3-benzoxazol-2-yl)propan-1-ol
CID 61230082

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-chloro-1,3-benzoxazol-2-yl)propan-1-ol?
The IUPAC name of 3-amino-3-(5-chloro-1,3-benzoxazol-2-yl)propan-1-ol (CID 61229900) is 3-amino-3-(5-chloro-1,3-benzoxazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(5-chloro-1,3-benzoxazol-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-(5-chloro-1,3-benzoxazol-2-yl)propan-1-ol is NC(CCO)c1nc2cc(Cl)ccc2o1.
What is the InChIKey of 3-amino-3-(5-chloro-1,3-benzoxazol-2-yl)propan-1-ol?
The InChIKey is KCWBEOZYDYTRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-6-1-2-9-8(5-6)13-10(15-9)7(12)3-4-14/h1-2,5,7,14H,3-4,12H2.
What are the key properties of 3-amino-3-(5-chloro-1,3-benzoxazol-2-yl)propan-1-ol?
3-amino-3-(5-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-3-(5-chloro-1,3-benzoxazol-2-yl)propan-1-ol is sourced from PubChem (CID 61229900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).