2-amino-4-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide

C11H10FN3O2S — CID 106924148

IUPAC2-amino-4-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
SMILESCc1coc(Sc2cc(C(N)=O)c(N)cc2F)n1
InChIInChI=1S/C11H10FN3O2S/c1-5-4-17-11(15-5)18-9-2-6(10(14)16)8(13)3-7(9)12/h2-4H,13H2,1H3,(H2,14,16)
InChIKeyRAHSSGNDMUPHFT-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.95
Rot. Bonds3

About 2-amino-4-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide

2-amino-4-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide (PubChem CID 106924148) has the molecular formula C11H10FN3O2S and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-amino-4-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
PubChem CID106924148
Molecular FormulaC11H10FN3O2S
Molecular Weight267.29 g/mol
Exact Mass267.05
IUPAC Name2-amino-4-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
SMILESCc1coc(Sc2cc(C(N)=O)c(N)cc2F)n1
InChIInChI=1S/C11H10FN3O2S/c1-5-4-17-11(15-5)18-9-2-6(10(14)16)8(13)3-7(9)12/h2-4H,13H2,1H3,(H2,14,16)
InChIKeyRAHSSGNDMUPHFT-UHFFFAOYSA-N
XLogP1.95
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.95
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

4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)aniline
CID 106921526
5-Fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921571
5-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923030
2-Amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106924119
Methyl 2-amino-4-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzoate
CID 106924132
Ethyl 2-amino-4-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzoate
CID 106924142
2-Amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluorobenzamide
CID 106924176
3-Fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzaldehyde
CID 106926373
2-Amino-4-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzoic acid
CID 113893726
2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 140431135
1-[2-Amino-5-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
CID 106921317
4-amino-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 106921469

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The IUPAC name of 2-amino-4-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide (CID 106924148) is 2-amino-4-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide.
What is the SMILES notation for 2-amino-4-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The canonical SMILES for 2-amino-4-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide is Cc1coc(Sc2cc(C(N)=O)c(N)cc2F)n1.
What is the InChIKey of 2-amino-4-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The InChIKey is RAHSSGNDMUPHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2S/c1-5-4-17-11(15-5)18-9-2-6(10(14)16)8(13)3-7(9)12/h2-4H,13H2,1H3,(H2,14,16).
What are the key properties of 2-amino-4-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
2-amino-4-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide has a molecular weight of 267.29 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide is sourced from PubChem (CID 106924148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).