(4S)-4-(2-cyclohexyloxyethyl)-4,5-dihydro-1,3-oxazol-2-amine

C11H20N2O2 — CID 59173091

IUPAC(4S)-4-(2-cyclohexyloxyethyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](CCOC2CCCCC2)CO1
InChIInChI=1S/C11H20N2O2/c12-11-13-9(8-15-11)6-7-14-10-4-2-1-3-5-10/h9-10H,1-8H2,(H2,12,13)/t9-/m0/s1
InChIKeyKNAUYOXHINPUPV-VIFPVBQESA-N
MW212.29 g/mol
LogP1.44
Rot. Bonds4

About (4S)-4-(2-cyclohexyloxyethyl)-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-(2-cyclohexyloxyethyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59173091) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (4S)-4-(2-cyclohexyloxyethyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(2-cyclohexyloxyethyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59173091
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(4S)-4-(2-cyclohexyloxyethyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](CCOC2CCCCC2)CO1
InChIInChI=1S/C11H20N2O2/c12-11-13-9(8-15-11)6-7-14-10-4-2-1-3-5-10/h9-10H,1-8H2,(H2,12,13)/t9-/m0/s1
InChIKeyKNAUYOXHINPUPV-VIFPVBQESA-N
XLogP1.44
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-cyclohexyloxyethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(2-cyclohexyloxyethyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 59173091) is (4S)-4-(2-cyclohexyloxyethyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(2-cyclohexyloxyethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(2-cyclohexyloxyethyl)-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](CCOC2CCCCC2)CO1.
What is the InChIKey of (4S)-4-(2-cyclohexyloxyethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is KNAUYOXHINPUPV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O2/c12-11-13-9(8-15-11)6-7-14-10-4-2-1-3-5-10/h9-10H,1-8H2,(H2,12,13)/t9-/m0/s1.
What are the key properties of (4S)-4-(2-cyclohexyloxyethyl)-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-(2-cyclohexyloxyethyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 212.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-cyclohexyloxyethyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59173091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).