4-(difluoromethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide

C12H14F5N3O2 — CID 136554765

IUPAC4-(difluoromethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)c1ocnc1C(F)F
InChIInChI=1S/C12H14F5N3O2/c13-10(14)8-9(22-6-19-8)11(21)18-3-7-1-2-20(4-7)5-12(15,16)17/h6-7,10H,1-5H2,(H,18,21)
InChIKeyAMQOVOVWKHZTTM-UHFFFAOYSA-N
MW327.25 g/mol
LogP2.23
Rot. Bonds5

About 4-(difluoromethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide

4-(difluoromethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 136554765) has the molecular formula C12H14F5N3O2 and a molecular weight of 327.25 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
PubChem CID136554765
Molecular FormulaC12H14F5N3O2
Molecular Weight327.25 g/mol
Exact Mass327.10
IUPAC Name4-(difluoromethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)c1ocnc1C(F)F
InChIInChI=1S/C12H14F5N3O2/c13-10(14)8-9(22-6-19-8)11(21)18-3-7-1-2-20(4-7)5-12(15,16)17/h6-7,10H,1-5H2,(H,18,21)
InChIKeyAMQOVOVWKHZTTM-UHFFFAOYSA-N
XLogP2.23
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(difluoromethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-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 4-(difluoromethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-(difluoromethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide (CID 136554765) is 4-(difluoromethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide is O=C(NCC1CCN(CC(F)(F)F)C1)c1ocnc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is AMQOVOVWKHZTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5N3O2/c13-10(14)8-9(22-6-19-8)11(21)18-3-7-1-2-20(4-7)5-12(15,16)17/h6-7,10H,1-5H2,(H,18,21).
What are the key properties of 4-(difluoromethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide?
4-(difluoromethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 327.25 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 136554765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).