(1S)-1-(1,3-oxazol-4-yl)propan-1-ol

C6H9NO2 — CID 178199954

IUPAC(1S)-1-(1,3-oxazol-4-yl)propan-1-ol
SMILESCC[C@H](O)c1cocn1
InChIInChI=1S/C6H9NO2/c1-2-6(8)5-3-9-4-7-5/h3-4,6,8H,2H2,1H3/t6-/m0/s1
InChIKeyGPYDSRXNMISLLK-LURJTMIESA-N
MW127.14 g/mol
LogP1.12
Rot. Bonds2

About (1S)-1-(1,3-oxazol-4-yl)propan-1-ol

(1S)-1-(1,3-oxazol-4-yl)propan-1-ol (PubChem CID 178199954) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (1S)-1-(1,3-oxazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(1,3-oxazol-4-yl)propan-1-ol
PubChem CID178199954
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(1S)-1-(1,3-oxazol-4-yl)propan-1-ol
SMILESCC[C@H](O)c1cocn1
InChIInChI=1S/C6H9NO2/c1-2-6(8)5-3-9-4-7-5/h3-4,6,8H,2H2,1H3/t6-/m0/s1
InChIKeyGPYDSRXNMISLLK-LURJTMIESA-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 (1S)-1-(1,3-oxazol-4-yl)propan-1-ol?
The IUPAC name of (1S)-1-(1,3-oxazol-4-yl)propan-1-ol (CID 178199954) is (1S)-1-(1,3-oxazol-4-yl)propan-1-ol.
What is the SMILES notation for (1S)-1-(1,3-oxazol-4-yl)propan-1-ol?
The canonical SMILES for (1S)-1-(1,3-oxazol-4-yl)propan-1-ol is CC[C@H](O)c1cocn1.
What is the InChIKey of (1S)-1-(1,3-oxazol-4-yl)propan-1-ol?
The InChIKey is GPYDSRXNMISLLK-LURJTMIESA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-6(8)5-3-9-4-7-5/h3-4,6,8H,2H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-(1,3-oxazol-4-yl)propan-1-ol?
(1S)-1-(1,3-oxazol-4-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 (1S)-1-(1,3-oxazol-4-yl)propan-1-ol is sourced from PubChem (CID 178199954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).