(4R)-4-ethyl-2-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,3-oxazole

C14H17NO — CID 100995681

IUPAC(4R)-4-ethyl-2-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC[C@@H]1COC(/C(C)=C/c2ccccc2)=N1
InChIInChI=1S/C14H17NO/c1-3-13-10-16-14(15-13)11(2)9-12-7-5-4-6-8-12/h4-9,13H,3,10H2,1-2H3/b11-9+/t13-/m1/s1
InChIKeyZRNUMMVLSUTNCZ-YGNAEDSMSA-N
MW215.30 g/mol
LogP3.30
Rot. Bonds3

About (4R)-4-ethyl-2-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,3-oxazole

(4R)-4-ethyl-2-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 100995681) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (4R)-4-ethyl-2-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-ethyl-2-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID100995681
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(4R)-4-ethyl-2-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC[C@@H]1COC(/C(C)=C/c2ccccc2)=N1
InChIInChI=1S/C14H17NO/c1-3-13-10-16-14(15-13)11(2)9-12-7-5-4-6-8-12/h4-9,13H,3,10H2,1-2H3/b11-9+/t13-/m1/s1
InChIKeyZRNUMMVLSUTNCZ-YGNAEDSMSA-N
XLogP3.30
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenyl-2-oxazoline
CID 244030
Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-phenylethenyl)-
CID 6311587
(4S)-2-(3-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
CID 17756809
2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 21893989
Oxazole, 4,5-dihydro-4,4-dimethyl-2-(1-methoxy-2-phenylethenyl)-
CID 6445996
[(4S,5S)-2-((Z)-4-Phenyl-buta-1,3-dienyl)-5-vinyl-4,5-dihydro-oxazol-4-yl]-methanol
CID 44394681
((4S,5S)-2-Styryl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol
CID 44394873
(4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 102142832
(S)-4-isopropyl-2-phenyloxazoline
CID 10947327
4-Methyl-2-phenyloxazoline
CID 11469237
4-Ethyl-2-phenyl-4,5-dihydro-1,3-oxazole
CID 15076225
4-Isopropyl-2-phenyl-4,5-dihydrooxazole
CID 21626139

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-2-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-ethyl-2-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,3-oxazole (CID 100995681) is (4R)-4-ethyl-2-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-ethyl-2-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-ethyl-2-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,3-oxazole is CC[C@@H]1COC(/C(C)=C/c2ccccc2)=N1.
What is the InChIKey of (4R)-4-ethyl-2-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is ZRNUMMVLSUTNCZ-YGNAEDSMSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-13-10-16-14(15-13)11(2)9-12-7-5-4-6-8-12/h4-9,13H,3,10H2,1-2H3/b11-9+/t13-/m1/s1.
What are the key properties of (4R)-4-ethyl-2-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,3-oxazole?
(4R)-4-ethyl-2-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 215.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-2-[(E)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 100995681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).