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

C7H13NO2 — CID 15122206

IUPAC(1R)-1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
SMILESCCC1=NO[C@@H]([C@@H](C)O)C1
InChIInChI=1S/C7H13NO2/c1-3-6-4-7(5(2)9)10-8-6/h5,7,9H,3-4H2,1-2H3/t5-,7-/m1/s1
InChIKeyYWYWKTSKEOXBNQ-IYSWYEEDSA-N
MW143.19 g/mol
LogP0.92
Rot. Bonds2

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

(1R)-1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol (PubChem CID 15122206) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (1R)-1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
PubChem CID15122206
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(1R)-1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
SMILESCCC1=NO[C@@H]([C@@H](C)O)C1
InChIInChI=1S/C7H13NO2/c1-3-6-4-7(5(2)9)10-8-6/h5,7,9H,3-4H2,1-2H3/t5-,7-/m1/s1
InChIKeyYWYWKTSKEOXBNQ-IYSWYEEDSA-N
XLogP0.92
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-[(1S)-1-chloroethyl]-3-ethyl-4,5-dihydro-1,2-oxazole
CID 95242258
(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanol
CID 14143956
1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine
CID 51698766
carbon dioxide;3-ethyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
CID 158570874
[(5S)-3-(2-methylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 25212903
5-(dimethoxymethyl)-3-pentyl-4,5-dihydro-1,2-oxazole
CID 13129891
1-[3-[(4E)-4-hydroxyimino-2,3-dihydropyrrol-5-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethanol
CID 177472638
(3R,5R)-5-[(1R)-1-hydroxyethyl]oxolane-2,3-diol
CID 175800512
N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine
CID 95122382
1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-2-(propan-2-ylamino)ethanol
CID 10012668
N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 126439630
3-pentyl-4,5-dihydro-1,2-oxazol-5-ol
CID 67379032

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The IUPAC name of (1R)-1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol (CID 15122206) is (1R)-1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for (1R)-1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for (1R)-1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol is CCC1=NO[C@@H]([C@@H](C)O)C1.
What is the InChIKey of (1R)-1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The InChIKey is YWYWKTSKEOXBNQ-IYSWYEEDSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-6-4-7(5(2)9)10-8-6/h5,7,9H,3-4H2,1-2H3/t5-,7-/m1/s1.
What are the key properties of (1R)-1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
(1R)-1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol has a molecular weight of 143.19 g/mol, XLogP of 0.92, 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-ethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 15122206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).