N-(2-amino-5-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)acetamide

C11H10FN3O2S — CID 106921808

IUPACN-(2-amino-5-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)acetamide
SMILESNc1ccc(F)cc1NC(=O)CSc1ncco1
InChIInChI=1S/C11H10FN3O2S/c12-7-1-2-8(13)9(5-7)15-10(16)6-18-11-14-3-4-17-11/h1-5H,6,13H2,(H,15,16)
InChIKeyISBBNAQIHHSHJU-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.13
Rot. Bonds4

About N-(2-amino-5-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)acetamide

N-(2-amino-5-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)acetamide (PubChem CID 106921808) has the molecular formula C11H10FN3O2S and a molecular weight of 267.28 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)acetamide
PubChem CID106921808
Molecular FormulaC11H10FN3O2S
Molecular Weight267.28 g/mol
Exact Mass267.05
IUPAC NameN-(2-amino-5-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)acetamide
SMILESNc1ccc(F)cc1NC(=O)CSc1ncco1
InChIInChI=1S/C11H10FN3O2S/c12-7-1-2-8(13)9(5-7)15-10(16)6-18-11-14-3-4-17-11/h1-5H,6,13H2,(H,15,16)
InChIKeyISBBNAQIHHSHJU-UHFFFAOYSA-N
XLogP2.13
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.13
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

N-(2-amino-5-fluorophenyl)-2-pyrimidin-4-ylsulfanylacetamide
CID 63697445
N-(2-amino-5-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 43612048
2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-difluorophenyl)acetamide
CID 43299886
N-(2-amino-5-fluorophenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135956095
N-(2-amino-5-fluorophenyl)-2-(4-fluorophenoxy)acetamide
CID 43611984
2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane
CID 142142758
N-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfanyl)acetamide
CID 62995341
1-[2-(2-amino-5-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 64780467
ethyl 2-[2-(2-amino-5-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 43628684
N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 43519004
N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 43345463

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)acetamide (CID 106921808) is N-(2-amino-5-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)acetamide is Nc1ccc(F)cc1NC(=O)CSc1ncco1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)acetamide?
The InChIKey is ISBBNAQIHHSHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2S/c12-7-1-2-8(13)9(5-7)15-10(16)6-18-11-14-3-4-17-11/h1-5H,6,13H2,(H,15,16).
What are the key properties of N-(2-amino-5-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)acetamide?
N-(2-amino-5-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)acetamide has a molecular weight of 267.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 106921808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).