1-(1,2-oxazol-5-yl)propan-1-ol

C6H9NO2 — CID 58735870

IUPAC1-(1,2-oxazol-5-yl)propan-1-ol
SMILESCCC(O)c1ccno1
InChIInChI=1S/C6H9NO2/c1-2-5(8)6-3-4-7-9-6/h3-5,8H,2H2,1H3
InChIKeyGJBNKHDPHWVTIH-UHFFFAOYSA-N
MW127.14 g/mol
LogP1.12
Rot. Bonds2

About 1-(1,2-oxazol-5-yl)propan-1-ol

1-(1,2-oxazol-5-yl)propan-1-ol (PubChem CID 58735870) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 1-(1,2-oxazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name1-(1,2-oxazol-5-yl)propan-1-ol
PubChem CID58735870
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name1-(1,2-oxazol-5-yl)propan-1-ol
SMILESCCC(O)c1ccno1
InChIInChI=1S/C6H9NO2/c1-2-5(8)6-3-4-7-9-6/h3-5,8H,2H2,1H3
InChIKeyGJBNKHDPHWVTIH-UHFFFAOYSA-N
XLogP1.12
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-5-yl)propan-1-ol?
The IUPAC name of 1-(1,2-oxazol-5-yl)propan-1-ol (CID 58735870) is 1-(1,2-oxazol-5-yl)propan-1-ol.
What is the SMILES notation for 1-(1,2-oxazol-5-yl)propan-1-ol?
The canonical SMILES for 1-(1,2-oxazol-5-yl)propan-1-ol is CCC(O)c1ccno1.
What is the InChIKey of 1-(1,2-oxazol-5-yl)propan-1-ol?
The InChIKey is GJBNKHDPHWVTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-5(8)6-3-4-7-9-6/h3-5,8H,2H2,1H3.
What are the key properties of 1-(1,2-oxazol-5-yl)propan-1-ol?
1-(1,2-oxazol-5-yl)propan-1-ol has a molecular weight of 127.14 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-5-yl)propan-1-ol is sourced from PubChem (CID 58735870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).