5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)cyclopropyl]pyrimidin-2-amine

C16H12F3N5O — CID 129032898

IUPAC5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)cyclopropyl]pyrimidin-2-amine
SMILESFc1ccc(C2(Nc3ncc(-c4nnc(C(F)F)o4)cn3)CC2)cc1
InChIInChI=1S/C16H12F3N5O/c17-11-3-1-10(2-4-11)16(5-6-16)22-15-20-7-9(8-21-15)13-23-24-14(25-13)12(18)19/h1-4,7-8,12H,5-6H2,(H,20,21,22)
InChIKeyNJAAVNSOZGGXFC-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.70
Rot. Bonds5

About 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)cyclopropyl]pyrimidin-2-amine

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)cyclopropyl]pyrimidin-2-amine (PubChem CID 129032898) has the molecular formula C16H12F3N5O and a molecular weight of 347.30 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)cyclopropyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)cyclopropyl]pyrimidin-2-amine
PubChem CID129032898
Molecular FormulaC16H12F3N5O
Molecular Weight347.30 g/mol
Exact Mass347.10
IUPAC Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)cyclopropyl]pyrimidin-2-amine
SMILESFc1ccc(C2(Nc3ncc(-c4nnc(C(F)F)o4)cn3)CC2)cc1
InChIInChI=1S/C16H12F3N5O/c17-11-3-1-10(2-4-11)16(5-6-16)22-15-20-7-9(8-21-15)13-23-24-14(25-13)12(18)19/h1-4,7-8,12H,5-6H2,(H,20,21,22)
InChIKeyNJAAVNSOZGGXFC-UHFFFAOYSA-N
XLogP3.70
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)cyclopropyl]pyrimidin-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 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)cyclopropyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)cyclopropyl]pyrimidin-2-amine (CID 129032898) is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)cyclopropyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)cyclopropyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)cyclopropyl]pyrimidin-2-amine is Fc1ccc(C2(Nc3ncc(-c4nnc(C(F)F)o4)cn3)CC2)cc1.
What is the InChIKey of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)cyclopropyl]pyrimidin-2-amine?
The InChIKey is NJAAVNSOZGGXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O/c17-11-3-1-10(2-4-11)16(5-6-16)22-15-20-7-9(8-21-15)13-23-24-14(25-13)12(18)19/h1-4,7-8,12H,5-6H2,(H,20,21,22).
What are the key properties of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)cyclopropyl]pyrimidin-2-amine?
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)cyclopropyl]pyrimidin-2-amine has a molecular weight of 347.30 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)cyclopropyl]pyrimidin-2-amine is sourced from PubChem (CID 129032898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).