1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methyl-1-phenylmethanamine

C14H19N3O — CID 62164427

IUPAC1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C14H19N3O/c1-14(2,3)13-17-16-12(18-13)11(15-4)10-8-6-5-7-9-10/h5-9,11,15H,1-4H3
InChIKeyBOFYDXDKJBGZBS-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.68
Rot. Bonds3

About 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methyl-1-phenylmethanamine

1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methyl-1-phenylmethanamine (PubChem CID 62164427) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound Name1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methyl-1-phenylmethanamine
PubChem CID62164427
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C14H19N3O/c1-14(2,3)13-17-16-12(18-13)11(15-4)10-8-6-5-7-9-10/h5-9,11,15H,1-4H3
InChIKeyBOFYDXDKJBGZBS-UHFFFAOYSA-N
XLogP2.68
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methyl-1-phenylmethanamine?
The IUPAC name of 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methyl-1-phenylmethanamine (CID 62164427) is 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methyl-1-phenylmethanamine.
What is the SMILES notation for 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methyl-1-phenylmethanamine?
The canonical SMILES for 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methyl-1-phenylmethanamine is CNC(c1ccccc1)c1nnc(C(C)(C)C)o1.
What is the InChIKey of 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methyl-1-phenylmethanamine?
The InChIKey is BOFYDXDKJBGZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,3)13-17-16-12(18-13)11(15-4)10-8-6-5-7-9-10/h5-9,11,15H,1-4H3.
What are the key properties of 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methyl-1-phenylmethanamine?
1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methyl-1-phenylmethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 62164427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).