1-[1-[(4R)-1,2-oxazolidin-4-yl]triazol-4-yl]propan-1-ol

C8H14N4O2 — CID 165450860

IUPAC1-[1-[(4R)-1,2-oxazolidin-4-yl]triazol-4-yl]propan-1-ol
SMILESCCC(O)c1cn([C@@H]2CNOC2)nn1
InChIInChI=1S/C8H14N4O2/c1-2-8(13)7-4-12(11-10-7)6-3-9-14-5-6/h4,6,8-9,13H,2-3,5H2,1H3/t6-,8?/m1/s1
InChIKeyOOBIJKXAUQYVMR-XPJFZRNWSA-N
MW198.23 g/mol
LogP-0.20
Rot. Bonds3

About 1-[1-[(4R)-1,2-oxazolidin-4-yl]triazol-4-yl]propan-1-ol

1-[1-[(4R)-1,2-oxazolidin-4-yl]triazol-4-yl]propan-1-ol (PubChem CID 165450860) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 1-[1-[(4R)-1,2-oxazolidin-4-yl]triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[(4R)-1,2-oxazolidin-4-yl]triazol-4-yl]propan-1-ol
PubChem CID165450860
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name1-[1-[(4R)-1,2-oxazolidin-4-yl]triazol-4-yl]propan-1-ol
SMILESCCC(O)c1cn([C@@H]2CNOC2)nn1
InChIInChI=1S/C8H14N4O2/c1-2-8(13)7-4-12(11-10-7)6-3-9-14-5-6/h4,6,8-9,13H,2-3,5H2,1H3/t6-,8?/m1/s1
InChIKeyOOBIJKXAUQYVMR-XPJFZRNWSA-N
XLogP-0.20
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(1,2-oxazolidin-4-yl)triazol-4-yl]propan-1-ol
CID 165457062
1-[1-[(4S)-1,2-oxazolidin-4-yl]triazol-4-yl]ethanol
CID 165444812
ethyl 1-[(4S)-1,2-oxazolidin-4-yl]triazole-4-carboxylate
CID 165444809
(4S)-4-(4-tert-butyltriazol-1-yl)-1,2-oxazolidine
CID 165448218
1-[1-(azepan-3-ylmethyl)triazol-4-yl]propan-1-ol
CID 165456758
1-(1-cyclohexyltriazol-4-yl)propan-1-amine
CID 106227983
1-(1-pentan-2-yltriazol-4-yl)propan-1-ol
CID 107886610
ethane;(1S)-1-[1-(3-methylcyclobutyl)triazol-4-yl]ethanol
CID 159612696
4-(diethoxymethyl)-1-(oxolan-3-yl)triazole
CID 66213944
4-[4-(diethoxymethyl)triazol-1-yl]piperidine
CID 150718724
1-[1-(2,6-dimethylphenyl)triazol-4-yl]propan-1-ol
CID 136572305
1-[1-(2,4,5-trifluorophenyl)triazol-4-yl]propan-1-ol
CID 113482617

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4R)-1,2-oxazolidin-4-yl]triazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-[(4R)-1,2-oxazolidin-4-yl]triazol-4-yl]propan-1-ol (CID 165450860) is 1-[1-[(4R)-1,2-oxazolidin-4-yl]triazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[(4R)-1,2-oxazolidin-4-yl]triazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-[(4R)-1,2-oxazolidin-4-yl]triazol-4-yl]propan-1-ol is CCC(O)c1cn([C@@H]2CNOC2)nn1.
What is the InChIKey of 1-[1-[(4R)-1,2-oxazolidin-4-yl]triazol-4-yl]propan-1-ol?
The InChIKey is OOBIJKXAUQYVMR-XPJFZRNWSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-2-8(13)7-4-12(11-10-7)6-3-9-14-5-6/h4,6,8-9,13H,2-3,5H2,1H3/t6-,8?/m1/s1.
What are the key properties of 1-[1-[(4R)-1,2-oxazolidin-4-yl]triazol-4-yl]propan-1-ol?
1-[1-[(4R)-1,2-oxazolidin-4-yl]triazol-4-yl]propan-1-ol has a molecular weight of 198.23 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4R)-1,2-oxazolidin-4-yl]triazol-4-yl]propan-1-ol is sourced from PubChem (CID 165450860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).