N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,6-trimethylaniline

C19H21N3O — CID 110653353

IUPACN-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NCc2nnc(Cc3ccccc3)o2)c(C)c1
InChIInChI=1S/C19H21N3O/c1-13-9-14(2)19(15(3)10-13)20-12-18-22-21-17(23-18)11-16-7-5-4-6-8-16/h4-10,20H,11-12H2,1-3H3
InChIKeyPHQDUONTRDDSGH-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.20
Rot. Bonds5

About N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,6-trimethylaniline

N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,6-trimethylaniline (PubChem CID 110653353) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,6-trimethylaniline
PubChem CID110653353
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NCc2nnc(Cc3ccccc3)o2)c(C)c1
InChIInChI=1S/C19H21N3O/c1-13-9-14(2)19(15(3)10-13)20-12-18-22-21-17(23-18)11-16-7-5-4-6-8-16/h4-10,20H,11-12H2,1-3H3
InChIKeyPHQDUONTRDDSGH-UHFFFAOYSA-N
XLogP4.20
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,6-trimethylaniline?
The IUPAC name of N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,6-trimethylaniline (CID 110653353) is N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,6-trimethylaniline is Cc1cc(C)c(NCc2nnc(Cc3ccccc3)o2)c(C)c1.
What is the InChIKey of N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,6-trimethylaniline?
The InChIKey is PHQDUONTRDDSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-9-14(2)19(15(3)10-13)20-12-18-22-21-17(23-18)11-16-7-5-4-6-8-16/h4-10,20H,11-12H2,1-3H3.
What are the key properties of N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,6-trimethylaniline?
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,6-trimethylaniline has a molecular weight of 307.40 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,6-trimethylaniline is sourced from PubChem (CID 110653353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).