N-(1,2,4-oxadiazol-3-ylmethyl)-1-phenylpropan-2-amine

C12H15N3O — CID 106392652

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCc1ncon1
InChIInChI=1S/C12H15N3O/c1-10(7-11-5-3-2-4-6-11)13-8-12-14-9-16-15-12/h2-6,9-10,13H,7-8H2,1H3
InChIKeyDKGAAJDNQCOMBO-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.79
Rot. Bonds5

About N-(1,2,4-oxadiazol-3-ylmethyl)-1-phenylpropan-2-amine

N-(1,2,4-oxadiazol-3-ylmethyl)-1-phenylpropan-2-amine (PubChem CID 106392652) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-1-phenylpropan-2-amine
PubChem CID106392652
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCc1ncon1
InChIInChI=1S/C12H15N3O/c1-10(7-11-5-3-2-4-6-11)13-8-12-14-9-16-15-12/h2-6,9-10,13H,7-8H2,1H3
InChIKeyDKGAAJDNQCOMBO-UHFFFAOYSA-N
XLogP1.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-phenylpropan-2-amine
CID 114015027
3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid
CID 106399040
1-(2,6-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 114182910
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylpropan-2-amine
CID 114991150
(2S)-2-methyl-3-phenyl-N-[(2R)-1-phenylpropan-2-yl]propan-1-amine
CID 14397821
N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396500
N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012085
1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine
CID 63011423
N-(1,2,4-oxadiazol-3-ylmethyl)-3-phenylprop-2-yn-1-amine
CID 106399101
N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine
CID 63011246
N-methyl-1-phenylpropan-2-amine
CID 118309477
1-(2-nitrophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393683

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1-phenylpropan-2-amine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1-phenylpropan-2-amine (CID 106392652) is N-(1,2,4-oxadiazol-3-ylmethyl)-1-phenylpropan-2-amine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-1-phenylpropan-2-amine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-1-phenylpropan-2-amine is CC(Cc1ccccc1)NCc1ncon1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-1-phenylpropan-2-amine?
The InChIKey is DKGAAJDNQCOMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-10(7-11-5-3-2-4-6-11)13-8-12-14-9-16-15-12/h2-6,9-10,13H,7-8H2,1H3.
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-1-phenylpropan-2-amine?
N-(1,2,4-oxadiazol-3-ylmethyl)-1-phenylpropan-2-amine has a molecular weight of 217.27 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-1-phenylpropan-2-amine is sourced from PubChem (CID 106392652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).