(R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine

C16H15N3O — CID 29272835

IUPAC(R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine
SMILESN[C@H](c1ccccc1)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C16H15N3O/c17-15(13-9-5-2-6-10-13)16-18-14(19-20-16)11-12-7-3-1-4-8-12/h1-10,15H,11,17H2/t15-/m1/s1
InChIKeyPOMDEGQSMKBQNW-OAHLLOKOSA-N
MW265.32 g/mol
LogP2.71
Rot. Bonds4

About (R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine

(R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine (PubChem CID 29272835) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is (R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine.

Molecular Properties

Compound Name(R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine
PubChem CID29272835
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name(R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine
SMILESN[C@H](c1ccccc1)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C16H15N3O/c17-15(13-9-5-2-6-10-13)16-18-14(19-20-16)11-12-7-3-1-4-8-12/h1-10,15H,11,17H2/t15-/m1/s1
InChIKeyPOMDEGQSMKBQNW-OAHLLOKOSA-N
XLogP2.71
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 62551887
(S)-phenyl-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 104898633
(S)-phenyl-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 28538355
(R)-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898615
(3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride
CID 146064560
(S)-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898638
(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)pentane-1,5-diamine
CID 162529572
(R)-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898781
phenyl-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 65129508
2-phenyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 62884718
phenyl-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 103472421
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 119138999

Frequently Asked Questions

What is the IUPAC name of (R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine?
The IUPAC name of (R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine (CID 29272835) is (R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine.
What is the SMILES notation for (R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine?
The canonical SMILES for (R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine is N[C@H](c1ccccc1)c1nc(Cc2ccccc2)no1.
What is the InChIKey of (R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine?
The InChIKey is POMDEGQSMKBQNW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15N3O/c17-15(13-9-5-2-6-10-13)16-18-14(19-20-16)11-12-7-3-1-4-8-12/h1-10,15H,11,17H2/t15-/m1/s1.
What are the key properties of (R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine?
(R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine has a molecular weight of 265.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine is sourced from PubChem (CID 29272835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).