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

C11H20N2O2 — CID 134931456

IUPAC(1R)-2-(tert-butylamino)-1-[(5S)-3-ethenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
SMILESC=CC1=NO[C@H]([C@H](O)CNC(C)(C)C)C1
InChIInChI=1S/C11H20N2O2/c1-5-8-6-10(15-13-8)9(14)7-12-11(2,3)4/h5,9-10,12,14H,1,6-7H2,2-4H3/t9-,10+/m1/s1
InChIKeyNEKXLDRHMZTNNO-ZJUUUORDSA-N
MW212.29 g/mol
LogP1.07
Rot. Bonds4

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

(1R)-2-(tert-butylamino)-1-[(5S)-3-ethenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol (PubChem CID 134931456) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (1R)-2-(tert-butylamino)-1-[(5S)-3-ethenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name(1R)-2-(tert-butylamino)-1-[(5S)-3-ethenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
PubChem CID134931456
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(1R)-2-(tert-butylamino)-1-[(5S)-3-ethenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
SMILESC=CC1=NO[C@H]([C@H](O)CNC(C)(C)C)C1
InChIInChI=1S/C11H20N2O2/c1-5-8-6-10(15-13-8)9(14)7-12-11(2,3)4/h5,9-10,12,14H,1,6-7H2,2-4H3/t9-,10+/m1/s1
InChIKeyNEKXLDRHMZTNNO-ZJUUUORDSA-N
XLogP1.07
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(tert-butylamino)-1-[(5S)-3-ethenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The IUPAC name of (1R)-2-(tert-butylamino)-1-[(5S)-3-ethenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol (CID 134931456) is (1R)-2-(tert-butylamino)-1-[(5S)-3-ethenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for (1R)-2-(tert-butylamino)-1-[(5S)-3-ethenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for (1R)-2-(tert-butylamino)-1-[(5S)-3-ethenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol is C=CC1=NO[C@H]([C@H](O)CNC(C)(C)C)C1.
What is the InChIKey of (1R)-2-(tert-butylamino)-1-[(5S)-3-ethenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The InChIKey is NEKXLDRHMZTNNO-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-8-6-10(15-13-8)9(14)7-12-11(2,3)4/h5,9-10,12,14H,1,6-7H2,2-4H3/t9-,10+/m1/s1.
What are the key properties of (1R)-2-(tert-butylamino)-1-[(5S)-3-ethenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
(1R)-2-(tert-butylamino)-1-[(5S)-3-ethenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol has a molecular weight of 212.29 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(tert-butylamino)-1-[(5S)-3-ethenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 134931456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).