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

C19H21N3O — CID 52874291

IUPAC1,1-diphenyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCC(C)c1nnc(CNC(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C19H21N3O/c1-14(2)19-22-21-17(23-19)13-20-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,18,20H,13H2,1-2H3
InChIKeyJORHXDFBKIJIEE-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.07
Rot. Bonds6

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

1,1-diphenyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine (PubChem CID 52874291) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1,1-diphenyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1,1-diphenyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
PubChem CID52874291
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1,1-diphenyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCC(C)c1nnc(CNC(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C19H21N3O/c1-14(2)19-22-21-17(23-19)13-20-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,18,20H,13H2,1-2H3
InChIKeyJORHXDFBKIJIEE-UHFFFAOYSA-N
XLogP4.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1-diphenyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The IUPAC name of 1,1-diphenyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine (CID 52874291) is 1,1-diphenyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1,1-diphenyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1,1-diphenyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine is CC(C)c1nnc(CNC(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of 1,1-diphenyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The InChIKey is JORHXDFBKIJIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14(2)19-22-21-17(23-19)13-20-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,18,20H,13H2,1-2H3.
What are the key properties of 1,1-diphenyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
1,1-diphenyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine has a molecular weight of 307.40 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 52874291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).