(1S)-1-[(5R)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethanamine

C18H20N2O — CID 57077148

IUPAC(1S)-1-[(5R)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethanamine
SMILESN[C@@H](Cc1ccccc1)[C@H]1C=C(Cc2ccccc2)NO1
InChIInChI=1S/C18H20N2O/c19-17(12-15-9-5-2-6-10-15)18-13-16(20-21-18)11-14-7-3-1-4-8-14/h1-10,13,17-18,20H,11-12,19H2/t17-,18+/m0/s1
InChIKeyNVOANZKOOQYBKZ-ZWKOTPCHSA-N
MW280.37 g/mol
LogP2.59
Rot. Bonds5

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

(1S)-1-[(5R)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethanamine (PubChem CID 57077148) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (1S)-1-[(5R)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethanamine.

Molecular Properties

Compound Name(1S)-1-[(5R)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethanamine
PubChem CID57077148
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(1S)-1-[(5R)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethanamine
SMILESN[C@@H](Cc1ccccc1)[C@H]1C=C(Cc2ccccc2)NO1
InChIInChI=1S/C18H20N2O/c19-17(12-15-9-5-2-6-10-15)18-13-16(20-21-18)11-14-7-3-1-4-8-14/h1-10,13,17-18,20H,11-12,19H2/t17-,18+/m0/s1
InChIKeyNVOANZKOOQYBKZ-ZWKOTPCHSA-N
XLogP2.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Diamino-1,5-diphenyl-3-hydroxypentane
CID 452307
1-phenyl-N-(1-phenylethoxy)pentan-1-amine
CID 15261429
1-phenyl-N-(1-phenylethoxy)but-3-en-1-amine
CID 15261431
2,4-Diamino-1,5-diphenylpentan-3-ol
CID 4627394
3-(4-Fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 90865219
3-(3-Fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 91104820
5-[(4-Fluorophenyl)methyl]-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 91243107
3-[(3-Fluorophenyl)methyl]-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 91455781
(1R)-1-phenyl-N-[(1R)-1-phenylbutoxy]but-3-en-1-amine
CID 15422012
1-phenyl-N-(1-phenylbutoxy)pent-4-en-1-amine
CID 85240837
1-phenyl-N-(1-phenylbutoxy)but-3-en-1-amine
CID 101212628
(E,2R)-4-phenyl-N-[(1R)-1-phenylpropoxy]but-3-en-2-amine
CID 134870506

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(5R)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethanamine?
The IUPAC name of (1S)-1-[(5R)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethanamine (CID 57077148) is (1S)-1-[(5R)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethanamine.
What is the SMILES notation for (1S)-1-[(5R)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethanamine?
The canonical SMILES for (1S)-1-[(5R)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethanamine is N[C@@H](Cc1ccccc1)[C@H]1C=C(Cc2ccccc2)NO1.
What is the InChIKey of (1S)-1-[(5R)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethanamine?
The InChIKey is NVOANZKOOQYBKZ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H20N2O/c19-17(12-15-9-5-2-6-10-15)18-13-16(20-21-18)11-14-7-3-1-4-8-14/h1-10,13,17-18,20H,11-12,19H2/t17-,18+/m0/s1.
What are the key properties of (1S)-1-[(5R)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethanamine?
(1S)-1-[(5R)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethanamine has a molecular weight of 280.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(5R)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethanamine is sourced from PubChem (CID 57077148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).