2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluorobenzamide

C12H12FN3O2S — CID 106924176

IUPAC2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluorobenzamide
SMILESCc1nc(Sc2cc(C(N)=O)c(N)cc2F)oc1C
InChIInChI=1S/C12H12FN3O2S/c1-5-6(2)18-12(16-5)19-10-3-7(11(15)17)9(14)4-8(10)13/h3-4H,14H2,1-2H3,(H2,15,17)
InChIKeyORBVJEOYGOBQED-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.26
Rot. Bonds3

About 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluorobenzamide

2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluorobenzamide (PubChem CID 106924176) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluorobenzamide
PubChem CID106924176
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluorobenzamide
SMILESCc1nc(Sc2cc(C(N)=O)c(N)cc2F)oc1C
InChIInChI=1S/C12H12FN3O2S/c1-5-6(2)18-12(16-5)19-10-3-7(11(15)17)9(14)4-8(10)13/h3-4H,14H2,1-2H3,(H2,15,17)
InChIKeyORBVJEOYGOBQED-UHFFFAOYSA-N
XLogP2.26
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.26
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

2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 55518565
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)aniline
CID 106921677
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-1H-indole-2,3-dione
CID 106923055
2-Amino-4-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 106924148
Methyl 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluorobenzoate
CID 106924160
Ethyl 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluorobenzoate
CID 106924169
2-Amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluorobenzoic acid
CID 113893733
1-[2-Amino-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
CID 106921477
4-amino-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylbenzamide
CID 106921624
1-[2-Amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
CID 106921632
2-[2-Amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]acetonitrile
CID 106921655
1-[2-Amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
CID 106921672

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluorobenzamide?
The IUPAC name of 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluorobenzamide (CID 106924176) is 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluorobenzamide.
What is the SMILES notation for 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluorobenzamide?
The canonical SMILES for 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluorobenzamide is Cc1nc(Sc2cc(C(N)=O)c(N)cc2F)oc1C.
What is the InChIKey of 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluorobenzamide?
The InChIKey is ORBVJEOYGOBQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c1-5-6(2)18-12(16-5)19-10-3-7(11(15)17)9(14)4-8(10)13/h3-4H,14H2,1-2H3,(H2,15,17).
What are the key properties of 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluorobenzamide?
2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluorobenzamide has a molecular weight of 281.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluorobenzamide is sourced from PubChem (CID 106924176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).