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

C17H13F2N3O2 — CID 3494554

IUPAC2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESNc1cccc(-c2nc(C(=O)NCc3ccc(F)c(F)c3)co2)c1
InChIInChI=1S/C17H13F2N3O2/c18-13-5-4-10(6-14(13)19)8-21-16(23)15-9-24-17(22-15)11-2-1-3-12(20)7-11/h1-7,9H,8,20H2,(H,21,23)
InChIKeyFCPISLOKYHERNG-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.13
Rot. Bonds4

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

2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 3494554) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID3494554
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESNc1cccc(-c2nc(C(=O)NCc3ccc(F)c(F)c3)co2)c1
InChIInChI=1S/C17H13F2N3O2/c18-13-5-4-10(6-14(13)19)8-21-16(23)15-9-24-17(22-15)11-2-1-3-12(20)7-11/h1-7,9H,8,20H2,(H,21,23)
InChIKeyFCPISLOKYHERNG-UHFFFAOYSA-N
XLogP3.13
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.13
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-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3483922
N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 113323547
methyl 2-(3-aminophenyl)-1,3-oxazole-4-carboxylate
CID 16731543
2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5237705
2-(3-amino-1H-indazol-6-yl)-N-[(3-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 69233196
2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3825691
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 166211099
2-(2-aminophenyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3597833
2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]propanamide
CID 106591266
2-N-[[3-(3-aminophenyl)phenyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 70304756
2-(2-aminoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3424318
N-[(3-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435776

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide (CID 3494554) is 2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide is Nc1cccc(-c2nc(C(=O)NCc3ccc(F)c(F)c3)co2)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is FCPISLOKYHERNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c18-13-5-4-10(6-14(13)19)8-21-16(23)15-9-24-17(22-15)11-2-1-3-12(20)7-11/h1-7,9H,8,20H2,(H,21,23).
What are the key properties of 2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide?
2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 329.31 g/mol, XLogP of 3.13, 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-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3494554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).