N-[2-amino-4-(trifluoromethyl)phenyl]-2-(1,3-oxazol-2-ylsulfanyl)acetamide

C12H10F3N3O2S — CID 106921881

IUPACN-[2-amino-4-(trifluoromethyl)phenyl]-2-(1,3-oxazol-2-ylsulfanyl)acetamide
SMILESNc1cc(C(F)(F)F)ccc1NC(=O)CSc1ncco1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)7-1-2-9(8(16)5-7)18-10(19)6-21-11-17-3-4-20-11/h1-5H,6,16H2,(H,18,19)
InChIKeyABNKNUDNIQMUMF-UHFFFAOYSA-N
MW317.29 g/mol
LogP3.01
Rot. Bonds4

About N-[2-amino-4-(trifluoromethyl)phenyl]-2-(1,3-oxazol-2-ylsulfanyl)acetamide

N-[2-amino-4-(trifluoromethyl)phenyl]-2-(1,3-oxazol-2-ylsulfanyl)acetamide (PubChem CID 106921881) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethyl)phenyl]-2-(1,3-oxazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-amino-4-(trifluoromethyl)phenyl]-2-(1,3-oxazol-2-ylsulfanyl)acetamide
PubChem CID106921881
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC NameN-[2-amino-4-(trifluoromethyl)phenyl]-2-(1,3-oxazol-2-ylsulfanyl)acetamide
SMILESNc1cc(C(F)(F)F)ccc1NC(=O)CSc1ncco1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)7-1-2-9(8(16)5-7)18-10(19)6-21-11-17-3-4-20-11/h1-5H,6,16H2,(H,18,19)
InChIKeyABNKNUDNIQMUMF-UHFFFAOYSA-N
XLogP3.01
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 106369394
1-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 106369655
1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 106387628
3-Fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921775
2-Fluoro-4-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921776
3-Fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921777
4-Fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921786
N-(2-amino-5-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)acetamide
CID 106921808
N-(3-amino-4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide
CID 106921824
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(1,3-oxazol-2-ylsulfanyl)acetamide
CID 106921825
N-(2-amino-4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)acetamide
CID 106921827
N-(2-amino-4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide
CID 106921844

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-2-(1,3-oxazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-2-(1,3-oxazol-2-ylsulfanyl)acetamide (CID 106921881) is N-[2-amino-4-(trifluoromethyl)phenyl]-2-(1,3-oxazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[2-amino-4-(trifluoromethyl)phenyl]-2-(1,3-oxazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[2-amino-4-(trifluoromethyl)phenyl]-2-(1,3-oxazol-2-ylsulfanyl)acetamide is Nc1cc(C(F)(F)F)ccc1NC(=O)CSc1ncco1.
What is the InChIKey of N-[2-amino-4-(trifluoromethyl)phenyl]-2-(1,3-oxazol-2-ylsulfanyl)acetamide?
The InChIKey is ABNKNUDNIQMUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c13-12(14,15)7-1-2-9(8(16)5-7)18-10(19)6-21-11-17-3-4-20-11/h1-5H,6,16H2,(H,18,19).
What are the key properties of N-[2-amino-4-(trifluoromethyl)phenyl]-2-(1,3-oxazol-2-ylsulfanyl)acetamide?
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(1,3-oxazol-2-ylsulfanyl)acetamide has a molecular weight of 317.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(trifluoromethyl)phenyl]-2-(1,3-oxazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 106921881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).