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

C18H14F3N3O2 — CID 3483922

IUPAC2-(3-aminophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESNc1cccc(-c2nc(C(=O)NCc3ccccc3C(F)(F)F)co2)c1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)14-7-2-1-4-12(14)9-23-16(25)15-10-26-17(24-15)11-5-3-6-13(22)8-11/h1-8,10H,9,22H2,(H,23,25)
InChIKeyVQYYRHOBDPJEAI-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.87
Rot. Bonds4

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

2-(3-aminophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 3483922) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID3483922
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name2-(3-aminophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESNc1cccc(-c2nc(C(=O)NCc3ccccc3C(F)(F)F)co2)c1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)14-7-2-1-4-12(14)9-23-16(25)15-10-26-17(24-15)11-5-3-6-13(22)8-11/h1-8,10H,9,22H2,(H,23,25)
InChIKeyVQYYRHOBDPJEAI-UHFFFAOYSA-N
XLogP3.87
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3494554
2-(1-amino-2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3841739
2-(1-amino-2-methylbutyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3271164
2-piperidin-4-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3421131
methyl 2-(3-aminophenyl)-1,3-oxazole-4-carboxylate
CID 16731543
5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 86166953
5-(furan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 39854407
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35762734
3-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 62879274
3-(3-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 46920548
5-[4-(cyclopropanecarbonylamino)phenyl]-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 70166718
3-amino-1-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 169110325

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(3-aminophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide (CID 3483922) is 2-(3-aminophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide is Nc1cccc(-c2nc(C(=O)NCc3ccccc3C(F)(F)F)co2)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is VQYYRHOBDPJEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c19-18(20,21)14-7-2-1-4-12(14)9-23-16(25)15-10-26-17(24-15)11-5-3-6-13(22)8-11/h1-8,10H,9,22H2,(H,23,25).
What are the key properties of 2-(3-aminophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
2-(3-aminophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 361.32 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3483922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).