3-[4-(1-aminopropan-2-yl)-1,3-oxazol-2-yl]propan-1-ol

C9H16N2O2 — CID 115081917

IUPAC3-[4-(1-aminopropan-2-yl)-1,3-oxazol-2-yl]propan-1-ol
SMILESCC(CN)c1coc(CCCO)n1
InChIInChI=1S/C9H16N2O2/c1-7(5-10)8-6-13-9(11-8)3-2-4-12/h6-7,12H,2-5,10H2,1H3
InChIKeyCSOOYOADTDGJGY-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.66
Rot. Bonds5

About 3-[4-(1-aminopropan-2-yl)-1,3-oxazol-2-yl]propan-1-ol

3-[4-(1-aminopropan-2-yl)-1,3-oxazol-2-yl]propan-1-ol (PubChem CID 115081917) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-[4-(1-aminopropan-2-yl)-1,3-oxazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(1-aminopropan-2-yl)-1,3-oxazol-2-yl]propan-1-ol
PubChem CID115081917
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-[4-(1-aminopropan-2-yl)-1,3-oxazol-2-yl]propan-1-ol
SMILESCC(CN)c1coc(CCCO)n1
InChIInChI=1S/C9H16N2O2/c1-7(5-10)8-6-13-9(11-8)3-2-4-12/h6-7,12H,2-5,10H2,1H3
InChIKeyCSOOYOADTDGJGY-UHFFFAOYSA-N
XLogP0.66
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminopropan-2-yl)-1,3-oxazol-2-yl]propan-1-ol?
The IUPAC name of 3-[4-(1-aminopropan-2-yl)-1,3-oxazol-2-yl]propan-1-ol (CID 115081917) is 3-[4-(1-aminopropan-2-yl)-1,3-oxazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(1-aminopropan-2-yl)-1,3-oxazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[4-(1-aminopropan-2-yl)-1,3-oxazol-2-yl]propan-1-ol is CC(CN)c1coc(CCCO)n1.
What is the InChIKey of 3-[4-(1-aminopropan-2-yl)-1,3-oxazol-2-yl]propan-1-ol?
The InChIKey is CSOOYOADTDGJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(5-10)8-6-13-9(11-8)3-2-4-12/h6-7,12H,2-5,10H2,1H3.
What are the key properties of 3-[4-(1-aminopropan-2-yl)-1,3-oxazol-2-yl]propan-1-ol?
3-[4-(1-aminopropan-2-yl)-1,3-oxazol-2-yl]propan-1-ol has a molecular weight of 184.24 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminopropan-2-yl)-1,3-oxazol-2-yl]propan-1-ol is sourced from PubChem (CID 115081917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).