(1R)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol

C8H15NO2 — CID 12070950

IUPAC(1R)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
SMILESCC(C)C1=NO[C@@H]([C@@H](C)O)C1
InChIInChI=1S/C8H15NO2/c1-5(2)7-4-8(6(3)10)11-9-7/h5-6,8,10H,4H2,1-3H3/t6-,8-/m1/s1
InChIKeyRCESZWLJAZRTBS-HTRCEHHLSA-N
MW157.21 g/mol
LogP1.17
Rot. Bonds2

About (1R)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol

(1R)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol (PubChem CID 12070950) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (1R)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
PubChem CID12070950
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(1R)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
SMILESCC(C)C1=NO[C@@H]([C@@H](C)O)C1
InChIInChI=1S/C8H15NO2/c1-5(2)7-4-8(6(3)10)11-9-7/h5-6,8,10H,4H2,1-3H3/t6-,8-/m1/s1
InChIKeyRCESZWLJAZRTBS-HTRCEHHLSA-N
XLogP1.17
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The IUPAC name of (1R)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol (CID 12070950) is (1R)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for (1R)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for (1R)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol is CC(C)C1=NO[C@@H]([C@@H](C)O)C1.
What is the InChIKey of (1R)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The InChIKey is RCESZWLJAZRTBS-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5(2)7-4-8(6(3)10)11-9-7/h5-6,8,10H,4H2,1-3H3/t6-,8-/m1/s1.
What are the key properties of (1R)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
(1R)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol has a molecular weight of 157.21 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 12070950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).