2-(3-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C12H12FN3O2 — CID 31673888

IUPAC2-(3-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CNc2cccc(F)c2)on1
InChIInChI=1S/C12H12FN3O2/c1-8-5-12(18-16-8)15-11(17)7-14-10-4-2-3-9(13)6-10/h2-6,14H,7H2,1H3,(H,15,17)
InChIKeyZVPOHTNXQQZJHB-UHFFFAOYSA-N
MW249.25 g/mol
LogP2.17
Rot. Bonds4

About 2-(3-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-(3-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 31673888) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID31673888
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name2-(3-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CNc2cccc(F)c2)on1
InChIInChI=1S/C12H12FN3O2/c1-8-5-12(18-16-8)15-11(17)7-14-10-4-2-3-9(13)6-10/h2-6,14H,7H2,1H3,(H,15,17)
InChIKeyZVPOHTNXQQZJHB-UHFFFAOYSA-N
XLogP2.17
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31678260
2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 94018256
2-(4-bromoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 16624216
N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16606648
N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
CID 9098883
2-(2-iodoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31691858
3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline
CID 126782089
2-(3-fluoroanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26506345
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide
CID 37474549
2-(3-fluoroanilino)-N-(2-iodophenyl)acetamide
CID 26506350
N-[4-(difluoromethoxy)phenyl]-2-(3-fluoroanilino)acetamide
CID 9098936
2-(3-fluoroanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 39426142

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-(3-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 31673888) is 2-(3-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-(3-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(NC(=O)CNc2cccc(F)c2)on1.
What is the InChIKey of 2-(3-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is ZVPOHTNXQQZJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-8-5-12(18-16-8)15-11(17)7-14-10-4-2-3-9(13)6-10/h2-6,14H,7H2,1H3,(H,15,17).
What are the key properties of 2-(3-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-(3-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 249.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 31673888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).