2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine

C18H18N2O — CID 139716121

IUPAC2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine
SMILESNC(=CC1=N[C@H](Cc2ccccc2)CO1)c1ccccc1
InChIInChI=1S/C18H18N2O/c19-17(15-9-5-2-6-10-15)12-18-20-16(13-21-18)11-14-7-3-1-4-8-14/h1-10,12,16H,11,13,19H2/t16-/m1/s1
InChIKeyNPSWFYQNVAWFTN-MRXNPFEDSA-N
MW278.36 g/mol
LogP3.03
Rot. Bonds4

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

2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine (PubChem CID 139716121) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine.

Molecular Properties

Compound Name2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine
PubChem CID139716121
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine
SMILESNC(=CC1=N[C@H](Cc2ccccc2)CO1)c1ccccc1
InChIInChI=1S/C18H18N2O/c19-17(15-9-5-2-6-10-15)12-18-20-16(13-21-18)11-14-7-3-1-4-8-14/h1-10,12,16H,11,13,19H2/t16-/m1/s1
InChIKeyNPSWFYQNVAWFTN-MRXNPFEDSA-N
XLogP3.03
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.03
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
(S)-2,4-Diphenyl-4,5-dihydrooxazole
CID 54012743
Oxazole, 4,5-dihydro-2,4-diphenyl-, (4R)-
CID 12098527
[4-(3-fluorophenyl)-5-methylidene-4H-1,3-oxazin-2-yl]methanamine
CID 155280876
(4R)-4-phenyl-2-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
CID 1268081
Bis(4-phenyl-4,5-dihydrooxazol-2-yl)methane
CID 3611900
(4S)-4-benzyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 57815561
(4R)-4-phenyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 57815569
(4R)-4-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 11831815

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine?
The IUPAC name of 2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine (CID 139716121) is 2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine.
What is the SMILES notation for 2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine?
The canonical SMILES for 2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine is NC(=CC1=N[C@H](Cc2ccccc2)CO1)c1ccccc1.
What is the InChIKey of 2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine?
The InChIKey is NPSWFYQNVAWFTN-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18N2O/c19-17(15-9-5-2-6-10-15)12-18-20-16(13-21-18)11-14-7-3-1-4-8-14/h1-10,12,16H,11,13,19H2/t16-/m1/s1.
What are the key properties of 2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine?
2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine has a molecular weight of 278.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine is sourced from PubChem (CID 139716121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).