N-[[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-pyrazol-1-ylaniline

C20H19N5O — CID 99634183

IUPACN-[[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-pyrazol-1-ylaniline
SMILESCc1ccccc1Cc1nnc(CNc2ccccc2-n2cccn2)o1
InChIInChI=1S/C20H19N5O/c1-15-7-2-3-8-16(15)13-19-23-24-20(26-19)14-21-17-9-4-5-10-18(17)25-12-6-11-22-25/h2-12,21H,13-14H2,1H3
InChIKeyIQHJEFYFVMLGQB-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.77
Rot. Bonds6

About N-[[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-pyrazol-1-ylaniline

N-[[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-pyrazol-1-ylaniline (PubChem CID 99634183) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-pyrazol-1-ylaniline
PubChem CID99634183
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-pyrazol-1-ylaniline
SMILESCc1ccccc1Cc1nnc(CNc2ccccc2-n2cccn2)o1
InChIInChI=1S/C20H19N5O/c1-15-7-2-3-8-16(15)13-19-23-24-20(26-19)14-21-17-9-4-5-10-18(17)25-12-6-11-22-25/h2-12,21H,13-14H2,1H3
InChIKeyIQHJEFYFVMLGQB-UHFFFAOYSA-N
XLogP3.77
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-pyrazol-1-ylaniline?
The IUPAC name of N-[[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-pyrazol-1-ylaniline (CID 99634183) is N-[[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-pyrazol-1-ylaniline.
What is the SMILES notation for N-[[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-pyrazol-1-ylaniline?
The canonical SMILES for N-[[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-pyrazol-1-ylaniline is Cc1ccccc1Cc1nnc(CNc2ccccc2-n2cccn2)o1.
What is the InChIKey of N-[[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-pyrazol-1-ylaniline?
The InChIKey is IQHJEFYFVMLGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-15-7-2-3-8-16(15)13-19-23-24-20(26-19)14-21-17-9-4-5-10-18(17)25-12-6-11-22-25/h2-12,21H,13-14H2,1H3.
What are the key properties of N-[[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-pyrazol-1-ylaniline?
N-[[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-pyrazol-1-ylaniline has a molecular weight of 345.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-pyrazol-1-ylaniline is sourced from PubChem (CID 99634183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).