N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenylphenyl)methanamine

C20H21N3O — CID 51107181

IUPACN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenylphenyl)methanamine
SMILESCN(Cc1nnc(C2CC2)o1)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C20H21N3O/c1-23(14-19-21-22-20(24-19)16-11-12-16)13-17-9-5-6-10-18(17)15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3
InChIKeyJHYZDXLOBAUKAF-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.25
Rot. Bonds6

About N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenylphenyl)methanamine

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenylphenyl)methanamine (PubChem CID 51107181) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenylphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenylphenyl)methanamine
PubChem CID51107181
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenylphenyl)methanamine
SMILESCN(Cc1nnc(C2CC2)o1)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C20H21N3O/c1-23(14-19-21-22-20(24-19)16-11-12-16)13-17-9-5-6-10-18(17)15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3
InChIKeyJHYZDXLOBAUKAF-UHFFFAOYSA-N
XLogP4.25
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenylphenyl)methanamine?
The IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenylphenyl)methanamine (CID 51107181) is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenylphenyl)methanamine.
What is the SMILES notation for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenylphenyl)methanamine?
The canonical SMILES for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenylphenyl)methanamine is CN(Cc1nnc(C2CC2)o1)Cc1ccccc1-c1ccccc1.
What is the InChIKey of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenylphenyl)methanamine?
The InChIKey is JHYZDXLOBAUKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-23(14-19-21-22-20(24-19)16-11-12-16)13-17-9-5-6-10-18(17)15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3.
What are the key properties of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenylphenyl)methanamine?
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenylphenyl)methanamine has a molecular weight of 319.41 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenylphenyl)methanamine is sourced from PubChem (CID 51107181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).