(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).