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

C16H14FN3O2S — CID 154744454

IUPACN-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESFc1c(CNc2nnc(-c3cccs3)o2)cccc1OC1CC1
InChIInChI=1S/C16H14FN3O2S/c17-14-10(3-1-4-12(14)21-11-6-7-11)9-18-16-20-19-15(22-16)13-5-2-8-23-13/h1-5,8,11H,6-7,9H2,(H,18,20)
InChIKeySPTLNKKIJMEICA-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.09
Rot. Bonds6

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

N-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 154744454) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID154744454
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESFc1c(CNc2nnc(-c3cccs3)o2)cccc1OC1CC1
InChIInChI=1S/C16H14FN3O2S/c17-14-10(3-1-4-12(14)21-11-6-7-11)9-18-16-20-19-15(22-16)13-5-2-8-23-13/h1-5,8,11H,6-7,9H2,(H,18,20)
InChIKeySPTLNKKIJMEICA-UHFFFAOYSA-N
XLogP4.09
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (CID 154744454) is N-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is Fc1c(CNc2nnc(-c3cccs3)o2)cccc1OC1CC1.
What is the InChIKey of N-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is SPTLNKKIJMEICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c17-14-10(3-1-4-12(14)21-11-6-7-11)9-18-16-20-19-15(22-16)13-5-2-8-23-13/h1-5,8,11H,6-7,9H2,(H,18,20).
What are the key properties of N-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
N-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 331.37 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 154744454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).