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

C9H17NO2 — CID 11309793

IUPAC(1R)-1-[(4R,5R)-3,4-diethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
SMILESCCC1=NO[C@@H]([C@@H](C)O)[C@@H]1CC
InChIInChI=1S/C9H17NO2/c1-4-7-8(5-2)10-12-9(7)6(3)11/h6-7,9,11H,4-5H2,1-3H3/t6-,7-,9+/m1/s1
InChIKeyVFVKCPQQBBLARJ-BHNWBGBOSA-N
MW171.24 g/mol
LogP1.56
Rot. Bonds3

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

(1R)-1-[(4R,5R)-3,4-diethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol (PubChem CID 11309793) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (1R)-1-[(4R,5R)-3,4-diethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(4R,5R)-3,4-diethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
PubChem CID11309793
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(1R)-1-[(4R,5R)-3,4-diethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
SMILESCCC1=NO[C@@H]([C@@H](C)O)[C@@H]1CC
InChIInChI=1S/C9H17NO2/c1-4-7-8(5-2)10-12-9(7)6(3)11/h6-7,9,11H,4-5H2,1-3H3/t6-,7-,9+/m1/s1
InChIKeyVFVKCPQQBBLARJ-BHNWBGBOSA-N
XLogP1.56
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4R,5R)-3,4-diethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The IUPAC name of (1R)-1-[(4R,5R)-3,4-diethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol (CID 11309793) is (1R)-1-[(4R,5R)-3,4-diethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for (1R)-1-[(4R,5R)-3,4-diethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for (1R)-1-[(4R,5R)-3,4-diethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol is CCC1=NO[C@@H]([C@@H](C)O)[C@@H]1CC.
What is the InChIKey of (1R)-1-[(4R,5R)-3,4-diethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The InChIKey is VFVKCPQQBBLARJ-BHNWBGBOSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-7-8(5-2)10-12-9(7)6(3)11/h6-7,9,11H,4-5H2,1-3H3/t6-,7-,9+/m1/s1.
What are the key properties of (1R)-1-[(4R,5R)-3,4-diethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
(1R)-1-[(4R,5R)-3,4-diethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol has a molecular weight of 171.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4R,5R)-3,4-diethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 11309793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).