(2S)-2-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-2-ol

C14H22N4O2 — CID 164629542

IUPAC(2S)-2-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-2-ol
SMILESCC[C@](C)(O)c1cn(Cc2coc(C(C)(C)C)n2)nn1
InChIInChI=1S/C14H22N4O2/c1-6-14(5,19)11-8-18(17-16-11)7-10-9-20-12(15-10)13(2,3)4/h8-9,19H,6-7H2,1-5H3/t14-/m0/s1
InChIKeyPGLSYEHHRRGXLR-AWEZNQCLSA-N
MW278.36 g/mol
LogP2.23
Rot. Bonds4

About (2S)-2-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-2-ol

(2S)-2-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-2-ol (PubChem CID 164629542) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (2S)-2-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-2-ol.

Molecular Properties

Compound Name(2S)-2-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-2-ol
PubChem CID164629542
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(2S)-2-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-2-ol
SMILESCC[C@](C)(O)c1cn(Cc2coc(C(C)(C)C)n2)nn1
InChIInChI=1S/C14H22N4O2/c1-6-14(5,19)11-8-18(17-16-11)7-10-9-20-12(15-10)13(2,3)4/h8-9,19H,6-7H2,1-5H3/t14-/m0/s1
InChIKeyPGLSYEHHRRGXLR-AWEZNQCLSA-N
XLogP2.23
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-2-ol?
The IUPAC name of (2S)-2-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-2-ol (CID 164629542) is (2S)-2-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-2-ol.
What is the SMILES notation for (2S)-2-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-2-ol?
The canonical SMILES for (2S)-2-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-2-ol is CC[C@](C)(O)c1cn(Cc2coc(C(C)(C)C)n2)nn1.
What is the InChIKey of (2S)-2-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-2-ol?
The InChIKey is PGLSYEHHRRGXLR-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-6-14(5,19)11-8-18(17-16-11)7-10-9-20-12(15-10)13(2,3)4/h8-9,19H,6-7H2,1-5H3/t14-/m0/s1.
What are the key properties of (2S)-2-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-2-ol?
(2S)-2-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-2-ol has a molecular weight of 278.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-2-ol is sourced from PubChem (CID 164629542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).