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

C14H12FN3OS — CID 84596804

IUPACN-[(3-fluorophenyl)methyl]-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESFc1cccc(CNc2nnc(Cc3ccsc3)o2)c1
InChIInChI=1S/C14H12FN3OS/c15-12-3-1-2-10(6-12)8-16-14-18-17-13(19-14)7-11-4-5-20-9-11/h1-6,9H,7-8H2,(H,16,18)
InChIKeyDBPMBQMEYRWCSN-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.47
Rot. Bonds5

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

N-[(3-fluorophenyl)methyl]-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 84596804) has the molecular formula C14H12FN3OS and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID84596804
Molecular FormulaC14H12FN3OS
Molecular Weight289.33 g/mol
Exact Mass289.07
IUPAC NameN-[(3-fluorophenyl)methyl]-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESFc1cccc(CNc2nnc(Cc3ccsc3)o2)c1
InChIInChI=1S/C14H12FN3OS/c15-12-3-1-2-10(6-12)8-16-14-18-17-13(19-14)7-11-4-5-20-9-11/h1-6,9H,7-8H2,(H,16,18)
InChIKeyDBPMBQMEYRWCSN-UHFFFAOYSA-N
XLogP3.47
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 84596804) is N-[(3-fluorophenyl)methyl]-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine is Fc1cccc(CNc2nnc(Cc3ccsc3)o2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is DBPMBQMEYRWCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c15-12-3-1-2-10(6-12)8-16-14-18-17-13(19-14)7-11-4-5-20-9-11/h1-6,9H,7-8H2,(H,16,18).
What are the key properties of N-[(3-fluorophenyl)methyl]-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
N-[(3-fluorophenyl)methyl]-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 289.33 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 84596804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).