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

C20H23N3O — CID 78822942

IUPACN-benzyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCc1cccc(-c2nnc(CN(Cc3ccccc3)C(C)C)o2)c1
InChIInChI=1S/C20H23N3O/c1-15(2)23(13-17-9-5-4-6-10-17)14-19-21-22-20(24-19)18-11-7-8-16(3)12-18/h4-12,15H,13-14H2,1-3H3
InChIKeyMMXUNFIDRGYDBS-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.46
Rot. Bonds6

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

N-benzyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (PubChem CID 78822942) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-benzyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-benzyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
PubChem CID78822942
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-benzyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCc1cccc(-c2nnc(CN(Cc3ccccc3)C(C)C)o2)c1
InChIInChI=1S/C20H23N3O/c1-15(2)23(13-17-9-5-4-6-10-17)14-19-21-22-20(24-19)18-11-7-8-16(3)12-18/h4-12,15H,13-14H2,1-3H3
InChIKeyMMXUNFIDRGYDBS-UHFFFAOYSA-N
XLogP4.46
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 78825997
N-benzyl-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 110652615
1-(2-fluorophenyl)-N-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine
CID 78824184
N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride
CID 171326059
1-(3-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60975667
N-benzyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-morpholin-4-ylpropan-2-amine
CID 56542746
N-[(4-fluorophenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 86911631
2-(3-methylphenyl)-5-(2-phenylethylsulfanyl)-1,3,4-oxadiazole
CID 858898
2-(3-methylphenyl)-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
CID 53153559
2-[(4-benzylpiperidin-1-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 71901584
2-(3-methylphenyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110655626
N-methyl-2-(3-methylphenoxy)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 78827666

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-benzyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (CID 78822942) is N-benzyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-benzyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-benzyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is Cc1cccc(-c2nnc(CN(Cc3ccccc3)C(C)C)o2)c1.
What is the InChIKey of N-benzyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is MMXUNFIDRGYDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-15(2)23(13-17-9-5-4-6-10-17)14-19-21-22-20(24-19)18-11-7-8-16(3)12-18/h4-12,15H,13-14H2,1-3H3.
What are the key properties of N-benzyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
N-benzyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 321.42 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 78822942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).