1-phenyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethenamine

C17H16N2O — CID 139716125

IUPAC1-phenyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethenamine
SMILESNC(=CC1=N[C@H](c2ccccc2)CO1)c1ccccc1
InChIInChI=1S/C17H16N2O/c18-15(13-7-3-1-4-8-13)11-17-19-16(12-20-17)14-9-5-2-6-10-14/h1-11,16H,12,18H2/t16-/m0/s1
InChIKeyVSGOVBDFFIBCJF-INIZCTEOSA-N
MW264.33 g/mol
LogP3.16
Rot. Bonds3

About 1-phenyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethenamine

1-phenyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethenamine (PubChem CID 139716125) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-phenyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethenamine.

Molecular Properties

Compound Name1-phenyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethenamine
PubChem CID139716125
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1-phenyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethenamine
SMILESNC(=CC1=N[C@H](c2ccccc2)CO1)c1ccccc1
InChIInChI=1S/C17H16N2O/c18-15(13-7-3-1-4-8-13)11-17-19-16(12-20-17)14-9-5-2-6-10-14/h1-11,16H,12,18H2/t16-/m0/s1
InChIKeyVSGOVBDFFIBCJF-INIZCTEOSA-N
XLogP3.16
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Diphenyl-1,3-oxazoline
CID 10889524
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
(4S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-4,5-dihydro-1,3-oxazole
CID 102142826
(4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 102142832
2-Methyl-4,5-diphenyl-4,5-dihydrooxazole
CID 583045
Iqagkpdfdjlird-uhfffaoysa-
CID 3732905
(S)-2,4-Diphenyl-4,5-dihydrooxazole
CID 54012743
Ctk2A9483
CID 10657514
Oxazole, 4,5-dihydro-2,4-diphenyl-, (4R)-
CID 12098527
(4R,5S)-2-methyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 12643448
(4S,4'S)-4,4',5,5'-Tetrahydro-4,4'-diphenyl-2,2'-bioxazole
CID 15936784
(4S,4'S)-2,2'-Propylidenebis[4,5-dihydro-4-phenyloxazole]
CID 56982768

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethenamine?
The IUPAC name of 1-phenyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethenamine (CID 139716125) is 1-phenyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethenamine.
What is the SMILES notation for 1-phenyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethenamine?
The canonical SMILES for 1-phenyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethenamine is NC(=CC1=N[C@H](c2ccccc2)CO1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethenamine?
The InChIKey is VSGOVBDFFIBCJF-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16N2O/c18-15(13-7-3-1-4-8-13)11-17-19-16(12-20-17)14-9-5-2-6-10-14/h1-11,16H,12,18H2/t16-/m0/s1.
What are the key properties of 1-phenyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethenamine?
1-phenyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethenamine has a molecular weight of 264.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethenamine is sourced from PubChem (CID 139716125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).