N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine

C14H13N3OS — CID 1091728

IUPACN-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESc1ccc(-c2nnc(CNCc3cccs3)o2)cc1
InChIInChI=1S/C14H13N3OS/c1-2-5-11(6-3-1)14-17-16-13(18-14)10-15-9-12-7-4-8-19-12/h1-8,15H,9-10H2
InChIKeyMFVRROFGSDJXSG-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.09
Rot. Bonds5

About N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine

N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 1091728) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID1091728
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESc1ccc(-c2nnc(CNCc3cccs3)o2)cc1
InChIInChI=1S/C14H13N3OS/c1-2-5-11(6-3-1)14-17-16-13(18-14)10-15-9-12-7-4-8-19-12/h1-8,15H,9-10H2
InChIKeyMFVRROFGSDJXSG-UHFFFAOYSA-N
XLogP3.09
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine (CID 1091728) is N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine is c1ccc(-c2nnc(CNCc3cccs3)o2)cc1.
What is the InChIKey of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is MFVRROFGSDJXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-2-5-11(6-3-1)14-17-16-13(18-14)10-15-9-12-7-4-8-19-12/h1-8,15H,9-10H2.
What are the key properties of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine?
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 271.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 1091728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).