2-(2-aminoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide

C14H13F4N3O2 — CID 3808583

IUPAC2-(2-aminoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)co1
InChIInChI=1S/C14H13F4N3O2/c15-10-4-8(3-9(5-10)14(16,17)18)6-20-13(22)11-7-23-12(21-11)1-2-19/h3-5,7H,1-2,6,19H2,(H,20,22)
InChIKeySIOIXDOROGNMNE-UHFFFAOYSA-N
MW331.27 g/mol
LogP2.26
Rot. Bonds5

About 2-(2-aminoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide

2-(2-aminoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 3808583) has the molecular formula C14H13F4N3O2 and a molecular weight of 331.27 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID3808583
Molecular FormulaC14H13F4N3O2
Molecular Weight331.27 g/mol
Exact Mass331.09
IUPAC Name2-(2-aminoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)co1
InChIInChI=1S/C14H13F4N3O2/c15-10-4-8(3-9(5-10)14(16,17)18)6-20-13(22)11-7-23-12(21-11)1-2-19/h3-5,7H,1-2,6,19H2,(H,20,22)
InChIKeySIOIXDOROGNMNE-UHFFFAOYSA-N
XLogP2.26
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-aminoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-aminoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3424318
2-(2-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3424319
2-(1-amino-2-hydroxyethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3789915
2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3847956
2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 58597427
N-benzyl-2-[[bis[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 46147604
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717933
2-(2-aminoethyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
CID 3858413
N-[(4-fluorophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
CID 3813359
2-(2-aminoethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 4596847
N-benzyl-2-[[(3-methylphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 42831954
2-(2-cyclopropyl-2-oxoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 161458996

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide (CID 3808583) is 2-(2-aminoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide is NCCc1nc(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)co1.
What is the InChIKey of 2-(2-aminoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is SIOIXDOROGNMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3O2/c15-10-4-8(3-9(5-10)14(16,17)18)6-20-13(22)11-7-23-12(21-11)1-2-19/h3-5,7H,1-2,6,19H2,(H,20,22).
What are the key properties of 2-(2-aminoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
2-(2-aminoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 331.27 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3808583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).