1-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine

C16H14BrN3O — CID 62164944

IUPAC1-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C16H14BrN3O/c1-18-14(11-7-3-2-4-8-11)16-20-19-15(21-16)12-9-5-6-10-13(12)17/h2-10,14,18H,1H3
InChIKeyDRGLVHWGBWQSPV-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.81
Rot. Bonds4

About 1-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine

1-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine (PubChem CID 62164944) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 1-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound Name1-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
PubChem CID62164944
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name1-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C16H14BrN3O/c1-18-14(11-7-3-2-4-8-11)16-20-19-15(21-16)12-9-5-6-10-13(12)17/h2-10,14,18H,1H3
InChIKeyDRGLVHWGBWQSPV-UHFFFAOYSA-N
XLogP3.81
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine?
The IUPAC name of 1-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine (CID 62164944) is 1-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine.
What is the SMILES notation for 1-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine?
The canonical SMILES for 1-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine is CNC(c1ccccc1)c1nnc(-c2ccccc2Br)o1.
What is the InChIKey of 1-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine?
The InChIKey is DRGLVHWGBWQSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-18-14(11-7-3-2-4-8-11)16-20-19-15(21-16)12-9-5-6-10-13(12)17/h2-10,14,18H,1H3.
What are the key properties of 1-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine?
1-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine has a molecular weight of 344.21 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 62164944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).