3-(1,3-oxazol-2-yl)propan-1-ol

C6H9NO2 — CID 19806979

IUPAC3-(1,3-oxazol-2-yl)propan-1-ol
SMILESOCCCc1ncco1
InChIInChI=1S/C6H9NO2/c8-4-1-2-6-7-3-5-9-6/h3,5,8H,1-2,4H2
InChIKeyBMFGDEJXSARJJN-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.60
Rot. Bonds3

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

3-(1,3-oxazol-2-yl)propan-1-ol (PubChem CID 19806979) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 3-(1,3-oxazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,3-oxazol-2-yl)propan-1-ol
PubChem CID19806979
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name3-(1,3-oxazol-2-yl)propan-1-ol
SMILESOCCCc1ncco1
InChIInChI=1S/C6H9NO2/c8-4-1-2-6-7-3-5-9-6/h3,5,8H,1-2,4H2
InChIKeyBMFGDEJXSARJJN-UHFFFAOYSA-N
XLogP0.60
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-oxazol-2-yl)propan-1-ol?
The IUPAC name of 3-(1,3-oxazol-2-yl)propan-1-ol (CID 19806979) is 3-(1,3-oxazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(1,3-oxazol-2-yl)propan-1-ol?
The canonical SMILES for 3-(1,3-oxazol-2-yl)propan-1-ol is OCCCc1ncco1.
What is the InChIKey of 3-(1,3-oxazol-2-yl)propan-1-ol?
The InChIKey is BMFGDEJXSARJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c8-4-1-2-6-7-3-5-9-6/h3,5,8H,1-2,4H2.
What are the key properties of 3-(1,3-oxazol-2-yl)propan-1-ol?
3-(1,3-oxazol-2-yl)propan-1-ol has a molecular weight of 127.14 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-oxazol-2-yl)propan-1-ol is sourced from PubChem (CID 19806979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).