(1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine

C17H17N3O — CID 29052317

IUPAC(1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
SMILESCc1ccc(-c2noc([C@H](N)Cc3ccccc3)n2)cc1
InChIInChI=1S/C17H17N3O/c1-12-7-9-14(10-8-12)16-19-17(21-20-16)15(18)11-13-5-3-2-4-6-13/h2-10,15H,11,18H2,1H3/t15-/m1/s1
InChIKeyIDFFVJYTPIYQNG-OAHLLOKOSA-N
MW279.34 g/mol
LogP3.29
Rot. Bonds4

About (1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine

(1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine (PubChem CID 29052317) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is (1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
PubChem CID29052317
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name(1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
SMILESCc1ccc(-c2noc([C@H](N)Cc3ccccc3)n2)cc1
InChIInChI=1S/C17H17N3O/c1-12-7-9-14(10-8-12)16-19-17(21-20-16)15(18)11-13-5-3-2-4-6-13/h2-10,15H,11,18H2,1H3/t15-/m1/s1
InChIKeyIDFFVJYTPIYQNG-OAHLLOKOSA-N
XLogP3.29
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 2512349
1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 52994442
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 104788871
(1R)-1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 104902205
1-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 56770588
1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 62099258
(1R)-2-phenyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104902160
1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630132
2-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 81077940
3-(4-methylphenyl)-5-[(1S)-1-phenylpropyl]-1,2,4-oxadiazole
CID 803156
3-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62478427
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride
CID 120833726

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The IUPAC name of (1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine (CID 29052317) is (1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine.
What is the SMILES notation for (1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The canonical SMILES for (1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine is Cc1ccc(-c2noc([C@H](N)Cc3ccccc3)n2)cc1.
What is the InChIKey of (1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The InChIKey is IDFFVJYTPIYQNG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-7-9-14(10-8-12)16-19-17(21-20-16)15(18)11-13-5-3-2-4-6-13/h2-10,15H,11,18H2,1H3/t15-/m1/s1.
What are the key properties of (1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
(1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine has a molecular weight of 279.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine is sourced from PubChem (CID 29052317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).