3-amino-3-(2-chloro-1,3-oxazol-4-yl)propan-1-ol

C6H9ClN2O2 — CID 84655795

IUPAC3-amino-3-(2-chloro-1,3-oxazol-4-yl)propan-1-ol
SMILESNC(CCO)c1coc(Cl)n1
InChIInChI=1S/C6H9ClN2O2/c7-6-9-5(3-11-6)4(8)1-2-10/h3-4,10H,1-2,8H2
InChIKeyJEPLCYANSNCKPD-UHFFFAOYSA-N
MW176.60 g/mol
LogP0.71
Rot. Bonds3

About 3-amino-3-(2-chloro-1,3-oxazol-4-yl)propan-1-ol

3-amino-3-(2-chloro-1,3-oxazol-4-yl)propan-1-ol (PubChem CID 84655795) has the molecular formula C6H9ClN2O2 and a molecular weight of 176.60 g/mol. Its IUPAC name is 3-amino-3-(2-chloro-1,3-oxazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(2-chloro-1,3-oxazol-4-yl)propan-1-ol
PubChem CID84655795
Molecular FormulaC6H9ClN2O2
Molecular Weight176.60 g/mol
Exact Mass176.04
IUPAC Name3-amino-3-(2-chloro-1,3-oxazol-4-yl)propan-1-ol
SMILESNC(CCO)c1coc(Cl)n1
InChIInChI=1S/C6H9ClN2O2/c7-6-9-5(3-11-6)4(8)1-2-10/h3-4,10H,1-2,8H2
InChIKeyJEPLCYANSNCKPD-UHFFFAOYSA-N
XLogP0.71
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.60
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-chloro-1,3-oxazol-4-yl)propan-1-ol?
The IUPAC name of 3-amino-3-(2-chloro-1,3-oxazol-4-yl)propan-1-ol (CID 84655795) is 3-amino-3-(2-chloro-1,3-oxazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(2-chloro-1,3-oxazol-4-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-(2-chloro-1,3-oxazol-4-yl)propan-1-ol is NC(CCO)c1coc(Cl)n1.
What is the InChIKey of 3-amino-3-(2-chloro-1,3-oxazol-4-yl)propan-1-ol?
The InChIKey is JEPLCYANSNCKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O2/c7-6-9-5(3-11-6)4(8)1-2-10/h3-4,10H,1-2,8H2.
What are the key properties of 3-amino-3-(2-chloro-1,3-oxazol-4-yl)propan-1-ol?
3-amino-3-(2-chloro-1,3-oxazol-4-yl)propan-1-ol has a molecular weight of 176.60 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-chloro-1,3-oxazol-4-yl)propan-1-ol is sourced from PubChem (CID 84655795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).