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

C20H23N3O — CID 52875918

IUPACN-methyl-1-(2-phenylphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCC(C)c1nnc(CN(C)Cc2ccccc2-c2ccccc2)o1
InChIInChI=1S/C20H23N3O/c1-15(2)20-22-21-19(24-20)14-23(3)13-17-11-7-8-12-18(17)16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3
InChIKeyWBUDUYVPPZLCKH-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.49
Rot. Bonds6

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

N-methyl-1-(2-phenylphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine (PubChem CID 52875918) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-methyl-1-(2-phenylphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-phenylphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
PubChem CID52875918
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-methyl-1-(2-phenylphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCC(C)c1nnc(CN(C)Cc2ccccc2-c2ccccc2)o1
InChIInChI=1S/C20H23N3O/c1-15(2)20-22-21-19(24-20)14-23(3)13-17-11-7-8-12-18(17)16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3
InChIKeyWBUDUYVPPZLCKH-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-phenylphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(2-phenylphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine (CID 52875918) is N-methyl-1-(2-phenylphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(2-phenylphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(2-phenylphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine is CC(C)c1nnc(CN(C)Cc2ccccc2-c2ccccc2)o1.
What is the InChIKey of N-methyl-1-(2-phenylphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The InChIKey is WBUDUYVPPZLCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-15(2)20-22-21-19(24-20)14-23(3)13-17-11-7-8-12-18(17)16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3.
What are the key properties of N-methyl-1-(2-phenylphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
N-methyl-1-(2-phenylphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine has a molecular weight of 321.42 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-phenylphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 52875918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).