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

C13H10FN3OS — CID 75456579

IUPACN-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESFc1ccc(CNc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C13H10FN3OS/c14-10-5-3-9(4-6-10)8-15-13-17-16-12(18-13)11-2-1-7-19-11/h1-7H,8H2,(H,15,17)
InChIKeyGPQXOKONXNAMOQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.55
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 75456579) has the molecular formula C13H10FN3OS and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID75456579
Molecular FormulaC13H10FN3OS
Molecular Weight275.31 g/mol
Exact Mass275.05
IUPAC NameN-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESFc1ccc(CNc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C13H10FN3OS/c14-10-5-3-9(4-6-10)8-15-13-17-16-12(18-13)11-2-1-7-19-11/h1-7H,8H2,(H,15,17)
InChIKeyGPQXOKONXNAMOQ-UHFFFAOYSA-N
XLogP3.55
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (CID 75456579) is N-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is Fc1ccc(CNc2nnc(-c3cccs3)o2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is GPQXOKONXNAMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3OS/c14-10-5-3-9(4-6-10)8-15-13-17-16-12(18-13)11-2-1-7-19-11/h1-7H,8H2,(H,15,17).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
N-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 275.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75456579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).