(1S)-2-(tert-butylamino)-1-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol

C10H20N2O2 — CID 10798102

IUPAC(1S)-2-(tert-butylamino)-1-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
SMILESCC1=NO[C@@H]([C@@H](O)CNC(C)(C)C)C1
InChIInChI=1S/C10H20N2O2/c1-7-5-9(14-12-7)8(13)6-11-10(2,3)4/h8-9,11,13H,5-6H2,1-4H3/t8-,9+/m0/s1
InChIKeyCOZCJLWTRWBPOA-DTWKUNHWSA-N
MW200.28 g/mol
LogP0.90
Rot. Bonds3

About (1S)-2-(tert-butylamino)-1-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol

(1S)-2-(tert-butylamino)-1-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol (PubChem CID 10798102) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (1S)-2-(tert-butylamino)-1-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-(tert-butylamino)-1-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
PubChem CID10798102
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(1S)-2-(tert-butylamino)-1-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
SMILESCC1=NO[C@@H]([C@@H](O)CNC(C)(C)C)C1
InChIInChI=1S/C10H20N2O2/c1-7-5-9(14-12-7)8(13)6-11-10(2,3)4/h8-9,11,13H,5-6H2,1-4H3/t8-,9+/m0/s1
InChIKeyCOZCJLWTRWBPOA-DTWKUNHWSA-N
XLogP0.90
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(tert-butylamino)-1-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The IUPAC name of (1S)-2-(tert-butylamino)-1-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol (CID 10798102) is (1S)-2-(tert-butylamino)-1-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for (1S)-2-(tert-butylamino)-1-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for (1S)-2-(tert-butylamino)-1-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol is CC1=NO[C@@H]([C@@H](O)CNC(C)(C)C)C1.
What is the InChIKey of (1S)-2-(tert-butylamino)-1-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The InChIKey is COZCJLWTRWBPOA-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7-5-9(14-12-7)8(13)6-11-10(2,3)4/h8-9,11,13H,5-6H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of (1S)-2-(tert-butylamino)-1-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
(1S)-2-(tert-butylamino)-1-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol has a molecular weight of 200.28 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(tert-butylamino)-1-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 10798102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).