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

C6H8N4O2 — CID 90713372

IUPAC(1R)-3-azido-1-(1,3-oxazol-2-yl)propan-1-ol
SMILES[N-]=[N+]=NCC[C@@H](O)c1ncco1
InChIInChI=1S/C6H8N4O2/c7-10-9-2-1-5(11)6-8-3-4-12-6/h3-5,11H,1-2H2/t5-/m1/s1
InChIKeyGBSWRIGNSGNIPQ-RXMQYKEDSA-N
MW168.16 g/mol
LogP1.41
Rot. Bonds4

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

(1R)-3-azido-1-(1,3-oxazol-2-yl)propan-1-ol (PubChem CID 90713372) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is (1R)-3-azido-1-(1,3-oxazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name(1R)-3-azido-1-(1,3-oxazol-2-yl)propan-1-ol
PubChem CID90713372
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name(1R)-3-azido-1-(1,3-oxazol-2-yl)propan-1-ol
SMILES[N-]=[N+]=NCC[C@@H](O)c1ncco1
InChIInChI=1S/C6H8N4O2/c7-10-9-2-1-5(11)6-8-3-4-12-6/h3-5,11H,1-2H2/t5-/m1/s1
InChIKeyGBSWRIGNSGNIPQ-RXMQYKEDSA-N
XLogP1.41
TPSA95.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(4-azidobutyl)-1,3-oxazole
CID 121437428
4-azido-1-(2-methyl-4-pyridinyl)butane-1,2-diol
CID 171878958
4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol
CID 171879244
4-azido-1-(2-fluoropyrimidin-5-yl)butane-1,2-diol
CID 171878905
1-(2-aminopyrimidin-5-yl)-4-azidobutane-1,2-diol
CID 171878981
4-azido-1-(2-chloropyrimidin-5-yl)butane-1,2-diol
CID 171878904
4-azido-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]butane-1,2-diol
CID 171878964
1-(2-amino-4-pyridinyl)-4-azidobutane-1,2-diol
CID 171878924
1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol
CID 171878923
1-(4-amino-2-chloro-3-pyridinyl)-4-azidobutane-1,2-diol
CID 171880559
(1S)-2-azido-1-pyrazin-2-ylethanol
CID 83092675
4-azido-1-(5-hydroxy-2-pyridinyl)butane-1,2-diol
CID 171878971

Frequently Asked Questions

What is the IUPAC name of (1R)-3-azido-1-(1,3-oxazol-2-yl)propan-1-ol?
The IUPAC name of (1R)-3-azido-1-(1,3-oxazol-2-yl)propan-1-ol (CID 90713372) is (1R)-3-azido-1-(1,3-oxazol-2-yl)propan-1-ol.
What is the SMILES notation for (1R)-3-azido-1-(1,3-oxazol-2-yl)propan-1-ol?
The canonical SMILES for (1R)-3-azido-1-(1,3-oxazol-2-yl)propan-1-ol is [N-]=[N+]=NCC[C@@H](O)c1ncco1.
What is the InChIKey of (1R)-3-azido-1-(1,3-oxazol-2-yl)propan-1-ol?
The InChIKey is GBSWRIGNSGNIPQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H8N4O2/c7-10-9-2-1-5(11)6-8-3-4-12-6/h3-5,11H,1-2H2/t5-/m1/s1.
What are the key properties of (1R)-3-azido-1-(1,3-oxazol-2-yl)propan-1-ol?
(1R)-3-azido-1-(1,3-oxazol-2-yl)propan-1-ol has a molecular weight of 168.16 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-azido-1-(1,3-oxazol-2-yl)propan-1-ol is sourced from PubChem (CID 90713372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).