(5S)-5-hexyl-3-[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]-4,5-dihydro-1,2-oxazole

C19H26N2O — CID 10040355

IUPAC(5S)-5-hexyl-3-[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]-4,5-dihydro-1,2-oxazole
SMILESCCCCCC[C@H]1CC([C@@H]2CCC(c3ccccc3)=N2)=NO1
InChIInChI=1S/C19H26N2O/c1-2-3-4-8-11-16-14-19(21-22-16)18-13-12-17(20-18)15-9-6-5-7-10-15/h5-7,9-10,16,18H,2-4,8,11-14H2,1H3/t16-,18-/m0/s1
InChIKeyJLYBJQZNOJNMPZ-WMZOPIPTSA-N
MW298.43 g/mol
LogP4.75
Rot. Bonds7

About (5S)-5-hexyl-3-[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]-4,5-dihydro-1,2-oxazole

(5S)-5-hexyl-3-[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]-4,5-dihydro-1,2-oxazole (PubChem CID 10040355) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is (5S)-5-hexyl-3-[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-hexyl-3-[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]-4,5-dihydro-1,2-oxazole
PubChem CID10040355
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name(5S)-5-hexyl-3-[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]-4,5-dihydro-1,2-oxazole
SMILESCCCCCC[C@H]1CC([C@@H]2CCC(c3ccccc3)=N2)=NO1
InChIInChI=1S/C19H26N2O/c1-2-3-4-8-11-16-14-19(21-22-16)18-13-12-17(20-18)15-9-6-5-7-10-15/h5-7,9-10,16,18H,2-4,8,11-14H2,1H3/t16-,18-/m0/s1
InChIKeyJLYBJQZNOJNMPZ-WMZOPIPTSA-N
XLogP4.75
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-pentyl-3-[4-(5-pentyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 86091004
5-octyl-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole
CID 91719392
5-octyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
CID 91719391
acetylene;(5R)-3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole
CID 143617767
(4S,6R)-4-(4-methylphenyl)-6-octadecyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 98766627
methyl 4-[(5S)-5-pentyl-4,5-dihydro-1,2-oxazol-3-yl]benzoate
CID 7319745
2-pentyloxetane;phenol
CID 67793049
3-(5-butyl-4,5-dihydro-1,2-oxazol-3-yl)benzonitrile
CID 25136573
2-octyl-5-(4-phenylphenyl)oxane
CID 21247738
1-(5-heptyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone
CID 102418661
1,1'-biphenyl;hexadecane
CID 173308514
N-[3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)prop-1-en-2-yl]butan-1-amine
CID 143117343

Frequently Asked Questions

What is the IUPAC name of (5S)-5-hexyl-3-[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-5-hexyl-3-[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]-4,5-dihydro-1,2-oxazole (CID 10040355) is (5S)-5-hexyl-3-[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-5-hexyl-3-[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-5-hexyl-3-[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]-4,5-dihydro-1,2-oxazole is CCCCCC[C@H]1CC([C@@H]2CCC(c3ccccc3)=N2)=NO1.
What is the InChIKey of (5S)-5-hexyl-3-[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]-4,5-dihydro-1,2-oxazole?
The InChIKey is JLYBJQZNOJNMPZ-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H26N2O/c1-2-3-4-8-11-16-14-19(21-22-16)18-13-12-17(20-18)15-9-6-5-7-10-15/h5-7,9-10,16,18H,2-4,8,11-14H2,1H3/t16-,18-/m0/s1.
What are the key properties of (5S)-5-hexyl-3-[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]-4,5-dihydro-1,2-oxazole?
(5S)-5-hexyl-3-[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]-4,5-dihydro-1,2-oxazole has a molecular weight of 298.43 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-hexyl-3-[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 10040355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).