(4R,5S)-5-phenyl-4-propyl-1,3-oxazolidine

C12H17NO — CID 11019670

IUPAC(4R,5S)-5-phenyl-4-propyl-1,3-oxazolidine
SMILESCCC[C@H]1NCO[C@H]1c1ccccc1
InChIInChI=1S/C12H17NO/c1-2-6-11-12(14-9-13-11)10-7-4-3-5-8-10/h3-5,7-8,11-13H,2,6,9H2,1H3/t11-,12+/m1/s1
InChIKeyAJSNSNNBUFBYBP-NEPJUHHUSA-N
MW191.27 g/mol
LogP2.47
Rot. Bonds3

About (4R,5S)-5-phenyl-4-propyl-1,3-oxazolidine

(4R,5S)-5-phenyl-4-propyl-1,3-oxazolidine (PubChem CID 11019670) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (4R,5S)-5-phenyl-4-propyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4R,5S)-5-phenyl-4-propyl-1,3-oxazolidine
PubChem CID11019670
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(4R,5S)-5-phenyl-4-propyl-1,3-oxazolidine
SMILESCCC[C@H]1NCO[C@H]1c1ccccc1
InChIInChI=1S/C12H17NO/c1-2-6-11-12(14-9-13-11)10-7-4-3-5-8-10/h3-5,7-8,11-13H,2,6,9H2,1H3/t11-,12+/m1/s1
InChIKeyAJSNSNNBUFBYBP-NEPJUHHUSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(4S,5S)-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-4-yl]methanol
CID 18651246
5-benzyl-3-ethyl-2-phenylmorpholine
CID 63261636
1-[(2S,3R)-2-phenyloxetan-3-yl]butan-1-ol
CID 101140305
ethanol;2-phenylmorpholin-3-ol
CID 174468375
5-tert-butyl-3-ethyl-2-phenyl-1,4-oxazepane
CID 106352790
(4-propylcyclohexyl)benzene
CID 155887669
2-ethyl-3-phenylpyrrolidine
CID 62354556
(3S,6S)-6-phenyl-3-propylpiperazin-2-one;sulfane
CID 159988778
(3R,4S)-N-chloro-4-phenyl-3-propyl-3,4-dihydro-2H-pyrrol-5-amine
CID 70988933
2,5-dimethyl-6-phenyl-2-propylmorpholine
CID 114169395
1-[(2R,3S)-2-phenyloxetan-3-yl]hexan-1-ol
CID 15259342
2-ethyl-5-phenyl-1,4-oxazepane
CID 83218632

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-phenyl-4-propyl-1,3-oxazolidine?
The IUPAC name of (4R,5S)-5-phenyl-4-propyl-1,3-oxazolidine (CID 11019670) is (4R,5S)-5-phenyl-4-propyl-1,3-oxazolidine.
What is the SMILES notation for (4R,5S)-5-phenyl-4-propyl-1,3-oxazolidine?
The canonical SMILES for (4R,5S)-5-phenyl-4-propyl-1,3-oxazolidine is CCC[C@H]1NCO[C@H]1c1ccccc1.
What is the InChIKey of (4R,5S)-5-phenyl-4-propyl-1,3-oxazolidine?
The InChIKey is AJSNSNNBUFBYBP-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-6-11-12(14-9-13-11)10-7-4-3-5-8-10/h3-5,7-8,11-13H,2,6,9H2,1H3/t11-,12+/m1/s1.
What are the key properties of (4R,5S)-5-phenyl-4-propyl-1,3-oxazolidine?
(4R,5S)-5-phenyl-4-propyl-1,3-oxazolidine has a molecular weight of 191.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-phenyl-4-propyl-1,3-oxazolidine is sourced from PubChem (CID 11019670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).