N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylpropan-2-amine

C13H17N3O — CID 114991150

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylpropan-2-amine
SMILESCc1noc(CNC(C)Cc2ccccc2)n1
InChIInChI=1S/C13H17N3O/c1-10(8-12-6-4-3-5-7-12)14-9-13-15-11(2)16-17-13/h3-7,10,14H,8-9H2,1-2H3
InChIKeyBGRULMMYKWWNEU-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.10
Rot. Bonds5

About N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylpropan-2-amine

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylpropan-2-amine (PubChem CID 114991150) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylpropan-2-amine
PubChem CID114991150
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylpropan-2-amine
SMILESCc1noc(CNC(C)Cc2ccccc2)n1
InChIInChI=1S/C13H17N3O/c1-10(8-12-6-4-3-5-7-12)14-9-13-15-11(2)16-17-13/h3-7,10,14H,8-9H2,1-2H3
InChIKeyBGRULMMYKWWNEU-UHFFFAOYSA-N
XLogP2.10
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.10
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
2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,2-diamine
CID 103389384
1-(3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 103901593
4-(4-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 61013750
N-benzyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 130841233
N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012085
N-(1,2,4-oxadiazol-3-ylmethyl)-1-phenylpropan-2-amine
CID 106392652
(2S)-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-2-amine
CID 781905
2-N-benzyl-2-N-methyl-1-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzene-1,2-diamine
CID 47085842
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine
CID 63281061
1-(4-ethylphenyl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 86919174
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylpropan-2-amine?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylpropan-2-amine (CID 114991150) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylpropan-2-amine.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylpropan-2-amine?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylpropan-2-amine is Cc1noc(CNC(C)Cc2ccccc2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylpropan-2-amine?
The InChIKey is BGRULMMYKWWNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(8-12-6-4-3-5-7-12)14-9-13-15-11(2)16-17-13/h3-7,10,14H,8-9H2,1-2H3.
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylpropan-2-amine?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylpropan-2-amine has a molecular weight of 231.30 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 114991150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).