(1S,2S)-1-(4,5-dihydro-1,2-oxazol-3-yl)propane-1,2-diol

C6H11NO3 — CID 134971372

IUPAC(1S,2S)-1-(4,5-dihydro-1,2-oxazol-3-yl)propane-1,2-diol
SMILESC[C@H](O)[C@@H](O)C1=NOCC1
InChIInChI=1S/C6H11NO3/c1-4(8)6(9)5-2-3-10-7-5/h4,6,8-9H,2-3H2,1H3/t4-,6+/m0/s1
InChIKeyREMCFUTVUNOMQN-UJURSFKZSA-N
MW145.16 g/mol
LogP-0.50
Rot. Bonds2

About (1S,2S)-1-(4,5-dihydro-1,2-oxazol-3-yl)propane-1,2-diol

(1S,2S)-1-(4,5-dihydro-1,2-oxazol-3-yl)propane-1,2-diol (PubChem CID 134971372) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (1S,2S)-1-(4,5-dihydro-1,2-oxazol-3-yl)propane-1,2-diol.

Molecular Properties

Compound Name(1S,2S)-1-(4,5-dihydro-1,2-oxazol-3-yl)propane-1,2-diol
PubChem CID134971372
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(1S,2S)-1-(4,5-dihydro-1,2-oxazol-3-yl)propane-1,2-diol
SMILESC[C@H](O)[C@@H](O)C1=NOCC1
InChIInChI=1S/C6H11NO3/c1-4(8)6(9)5-2-3-10-7-5/h4,6,8-9H,2-3H2,1H3/t4-,6+/m0/s1
InChIKeyREMCFUTVUNOMQN-UJURSFKZSA-N
XLogP-0.50
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(4,5-dihydro-1,2-oxazol-3-yl)propane-1,2-diol?
The IUPAC name of (1S,2S)-1-(4,5-dihydro-1,2-oxazol-3-yl)propane-1,2-diol (CID 134971372) is (1S,2S)-1-(4,5-dihydro-1,2-oxazol-3-yl)propane-1,2-diol.
What is the SMILES notation for (1S,2S)-1-(4,5-dihydro-1,2-oxazol-3-yl)propane-1,2-diol?
The canonical SMILES for (1S,2S)-1-(4,5-dihydro-1,2-oxazol-3-yl)propane-1,2-diol is C[C@H](O)[C@@H](O)C1=NOCC1.
What is the InChIKey of (1S,2S)-1-(4,5-dihydro-1,2-oxazol-3-yl)propane-1,2-diol?
The InChIKey is REMCFUTVUNOMQN-UJURSFKZSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(8)6(9)5-2-3-10-7-5/h4,6,8-9H,2-3H2,1H3/t4-,6+/m0/s1.
What are the key properties of (1S,2S)-1-(4,5-dihydro-1,2-oxazol-3-yl)propane-1,2-diol?
(1S,2S)-1-(4,5-dihydro-1,2-oxazol-3-yl)propane-1,2-diol has a molecular weight of 145.16 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(4,5-dihydro-1,2-oxazol-3-yl)propane-1,2-diol is sourced from PubChem (CID 134971372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).