2-(2-phenylmethoxypent-4-en-2-yl)-4,5-dihydro-1,3-oxazole

C15H19NO2 — CID 68676288

IUPAC2-(2-phenylmethoxypent-4-en-2-yl)-4,5-dihydro-1,3-oxazole
SMILESC=CCC(C)(OCc1ccccc1)C1=NCCO1
InChIInChI=1S/C15H19NO2/c1-3-9-15(2,14-16-10-11-17-14)18-12-13-7-5-4-6-8-13/h3-8H,1,9-12H2,2H3
InChIKeyPTEBSXYKTQOYIE-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.97
Rot. Bonds6

About 2-(2-phenylmethoxypent-4-en-2-yl)-4,5-dihydro-1,3-oxazole

2-(2-phenylmethoxypent-4-en-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 68676288) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(2-phenylmethoxypent-4-en-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2-phenylmethoxypent-4-en-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID68676288
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-(2-phenylmethoxypent-4-en-2-yl)-4,5-dihydro-1,3-oxazole
SMILESC=CCC(C)(OCc1ccccc1)C1=NCCO1
InChIInChI=1S/C15H19NO2/c1-3-9-15(2,14-16-10-11-17-14)18-12-13-7-5-4-6-8-13/h3-8H,1,9-12H2,2H3
InChIKeyPTEBSXYKTQOYIE-UHFFFAOYSA-N
XLogP2.97
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-phenylmethoxypent-4-en-1-ol
CID 14683661
2-(3-ethylhex-5-en-3-yl)-4,5-dihydro-1,3-oxazole
CID 130343667
[(2R)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966368
[(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966369
carbon monoxide;chromium;2-methylbut-3-en-2-yloxymethylbenzene
CID 135050161
(1,1-difluoro-2,2-dimethylpropoxy)methylbenzene
CID 58044547
6-(4-phenyl-2-prop-2-enoxybutan-2-yl)-3,4-dihydro-2H-pyran
CID 10849818
1-fluoro-3-methyl-3-phenylmethoxybutan-2-ol
CID 14003290
(2-methyl-2-phenylmethoxypropyl)benzene
CID 86203864
(3-bromo-2,3-dimethylbutan-2-yl)oxymethylbenzene
CID 13234795
dibenzyl 2-phenyl-2-prop-2-enylpropanedioate
CID 171777576
(2S)-2,3,3-trimethyl-2-phenylmethoxybutanoic acid
CID 14683672

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxypent-4-en-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2-phenylmethoxypent-4-en-2-yl)-4,5-dihydro-1,3-oxazole (CID 68676288) is 2-(2-phenylmethoxypent-4-en-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2-phenylmethoxypent-4-en-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2-phenylmethoxypent-4-en-2-yl)-4,5-dihydro-1,3-oxazole is C=CCC(C)(OCc1ccccc1)C1=NCCO1.
What is the InChIKey of 2-(2-phenylmethoxypent-4-en-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is PTEBSXYKTQOYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-9-15(2,14-16-10-11-17-14)18-12-13-7-5-4-6-8-13/h3-8H,1,9-12H2,2H3.
What are the key properties of 2-(2-phenylmethoxypent-4-en-2-yl)-4,5-dihydro-1,3-oxazole?
2-(2-phenylmethoxypent-4-en-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 245.32 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxypent-4-en-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 68676288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).