N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide

C15H14F4N4O2 — CID 155302619

IUPACN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)CC1C(F)(F)F
InChIInChI=1S/C15H14F4N4O2/c1-8-6-23(7-11(8)15(17,18)19)14(24)20-13-22-21-12(25-13)9-2-4-10(16)5-3-9/h2-5,8,11H,6-7H2,1H3,(H,20,22,24)
InChIKeyXCJZWSIGJJRFBH-UHFFFAOYSA-N
MW358.30 g/mol
LogP3.54
Rot. Bonds2

About N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide

N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 155302619) has the molecular formula C15H14F4N4O2 and a molecular weight of 358.30 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID155302619
Molecular FormulaC15H14F4N4O2
Molecular Weight358.30 g/mol
Exact Mass358.11
IUPAC NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)CC1C(F)(F)F
InChIInChI=1S/C15H14F4N4O2/c1-8-6-23(7-11(8)15(17,18)19)14(24)20-13-22-21-12(25-13)9-2-4-10(16)5-3-9/h2-5,8,11H,6-7H2,1H3,(H,20,22,24)
InChIKeyXCJZWSIGJJRFBH-UHFFFAOYSA-N
XLogP3.54
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide 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-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 155302619) is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide is CC1CN(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)CC1C(F)(F)F.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is XCJZWSIGJJRFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N4O2/c1-8-6-23(7-11(8)15(17,18)19)14(24)20-13-22-21-12(25-13)9-2-4-10(16)5-3-9/h2-5,8,11H,6-7H2,1H3,(H,20,22,24).
What are the key properties of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide?
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 358.30 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 155302619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).