(4S)-4-(4-tert-butyltriazol-1-yl)-1,2-oxazolidine

C9H16N4O — CID 165448218

IUPAC(4S)-4-(4-tert-butyltriazol-1-yl)-1,2-oxazolidine
SMILESCC(C)(C)c1cn([C@H]2CNOC2)nn1
InChIInChI=1S/C9H16N4O/c1-9(2,3)8-5-13(12-11-8)7-4-10-14-6-7/h5,7,10H,4,6H2,1-3H3/t7-/m0/s1
InChIKeyWDAVTSNZRLTGQZ-ZETCQYMHSA-N
MW196.25 g/mol
LogP0.65
Rot. Bonds1

About (4S)-4-(4-tert-butyltriazol-1-yl)-1,2-oxazolidine

(4S)-4-(4-tert-butyltriazol-1-yl)-1,2-oxazolidine (PubChem CID 165448218) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is (4S)-4-(4-tert-butyltriazol-1-yl)-1,2-oxazolidine.

Molecular Properties

Compound Name(4S)-4-(4-tert-butyltriazol-1-yl)-1,2-oxazolidine
PubChem CID165448218
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name(4S)-4-(4-tert-butyltriazol-1-yl)-1,2-oxazolidine
SMILESCC(C)(C)c1cn([C@H]2CNOC2)nn1
InChIInChI=1S/C9H16N4O/c1-9(2,3)8-5-13(12-11-8)7-4-10-14-6-7/h5,7,10H,4,6H2,1-3H3/t7-/m0/s1
InChIKeyWDAVTSNZRLTGQZ-ZETCQYMHSA-N
XLogP0.65
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(4S)-1,2-oxazolidin-4-yl]triazol-4-yl]ethanol
CID 165444812
1-[1-[(4R)-1,2-oxazolidin-4-yl]triazol-4-yl]propan-1-ol
CID 165450860
1-[1-(1,2-oxazolidin-4-yl)triazol-4-yl]propan-1-ol
CID 165457062
ethyl 1-[(4S)-1,2-oxazolidin-4-yl]triazole-4-carboxylate
CID 165444809
4-(4-tert-butyltriazol-1-yl)-1-pentylpiperidine
CID 46996048
2-[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-2-amine
CID 79919786
4-tert-butyl-1-(pyrrolidin-3-ylmethyl)triazole
CID 115026061
bis(1,4-ditert-butyltriazole);methane
CID 158842263
4-(4-tert-butyltriazol-1-yl)-N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 47000489
cyclopentyl-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 46985353
1-[1-(azetidin-3-yl)triazol-4-yl]-2,2-dimethylpropan-1-one
CID 116590690
2-(4-tert-butyltriazol-1-yl)propane-2-thiol
CID 170097807

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-tert-butyltriazol-1-yl)-1,2-oxazolidine?
The IUPAC name of (4S)-4-(4-tert-butyltriazol-1-yl)-1,2-oxazolidine (CID 165448218) is (4S)-4-(4-tert-butyltriazol-1-yl)-1,2-oxazolidine.
What is the SMILES notation for (4S)-4-(4-tert-butyltriazol-1-yl)-1,2-oxazolidine?
The canonical SMILES for (4S)-4-(4-tert-butyltriazol-1-yl)-1,2-oxazolidine is CC(C)(C)c1cn([C@H]2CNOC2)nn1.
What is the InChIKey of (4S)-4-(4-tert-butyltriazol-1-yl)-1,2-oxazolidine?
The InChIKey is WDAVTSNZRLTGQZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N4O/c1-9(2,3)8-5-13(12-11-8)7-4-10-14-6-7/h5,7,10H,4,6H2,1-3H3/t7-/m0/s1.
What are the key properties of (4S)-4-(4-tert-butyltriazol-1-yl)-1,2-oxazolidine?
(4S)-4-(4-tert-butyltriazol-1-yl)-1,2-oxazolidine has a molecular weight of 196.25 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-tert-butyltriazol-1-yl)-1,2-oxazolidine is sourced from PubChem (CID 165448218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).