(5R)-5-tert-butyl-3-methyl-4H-1,2-oxazol-5-ol

C8H15NO2 — CID 40523018

IUPAC(5R)-5-tert-butyl-3-methyl-4H-1,2-oxazol-5-ol
SMILESCC1=NO[C@@](O)(C(C)(C)C)C1
InChIInChI=1S/C8H15NO2/c1-6-5-8(10,11-9-6)7(2,3)4/h10H,5H2,1-4H3/t8-/m1/s1
InChIKeyQSEBUVNPCAHKHF-MRVPVSSYSA-N
MW157.21 g/mol
LogP1.52
Rot. Bonds

About (5R)-5-tert-butyl-3-methyl-4H-1,2-oxazol-5-ol

(5R)-5-tert-butyl-3-methyl-4H-1,2-oxazol-5-ol (PubChem CID 40523018) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (5R)-5-tert-butyl-3-methyl-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name(5R)-5-tert-butyl-3-methyl-4H-1,2-oxazol-5-ol
PubChem CID40523018
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(5R)-5-tert-butyl-3-methyl-4H-1,2-oxazol-5-ol
SMILESCC1=NO[C@@](O)(C(C)(C)C)C1
InChIInChI=1S/C8H15NO2/c1-6-5-8(10,11-9-6)7(2,3)4/h10H,5H2,1-4H3/t8-/m1/s1
InChIKeyQSEBUVNPCAHKHF-MRVPVSSYSA-N
XLogP1.52
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(6-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexyl)-3-methyl-4H-1,2-oxazol-5-ol
CID 10252436
ethane;3,5,5-trimethyl-4H-1,2-oxazole
CID 143045754
5-(2,2-dimethylpropyl)-3,5-dimethyl-4H-1,2-oxazole
CID 146290036
5-tert-butyl-5-hydroxyoxolane-2,3-dione
CID 546373
(3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol
CID 22121131
(3-methyl-5-phosphono-4H-1,2-oxazol-5-yl)phosphonic acid
CID 19756907
3-methyl-1-oxa-2-azaspiro[4.6]undec-2-ene
CID 20644760
5-ethyl-3-methyl-4H-1,2-oxazole-5-thiol
CID 123240033
3,5-dimethyl-4H-1,2-oxazole-5-carbaldehyde
CID 146859133
methyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate
CID 544674
2-(5-ethyl-3-methyl-4H-1,2-oxazol-5-yl)acetic acid
CID 134338083
3-methyl-5-(5-methyl-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 91345304

Frequently Asked Questions

What is the IUPAC name of (5R)-5-tert-butyl-3-methyl-4H-1,2-oxazol-5-ol?
The IUPAC name of (5R)-5-tert-butyl-3-methyl-4H-1,2-oxazol-5-ol (CID 40523018) is (5R)-5-tert-butyl-3-methyl-4H-1,2-oxazol-5-ol.
What is the SMILES notation for (5R)-5-tert-butyl-3-methyl-4H-1,2-oxazol-5-ol?
The canonical SMILES for (5R)-5-tert-butyl-3-methyl-4H-1,2-oxazol-5-ol is CC1=NO[C@@](O)(C(C)(C)C)C1.
What is the InChIKey of (5R)-5-tert-butyl-3-methyl-4H-1,2-oxazol-5-ol?
The InChIKey is QSEBUVNPCAHKHF-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-5-8(10,11-9-6)7(2,3)4/h10H,5H2,1-4H3/t8-/m1/s1.
What are the key properties of (5R)-5-tert-butyl-3-methyl-4H-1,2-oxazol-5-ol?
(5R)-5-tert-butyl-3-methyl-4H-1,2-oxazol-5-ol has a molecular weight of 157.21 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-tert-butyl-3-methyl-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 40523018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).