3-amino-N,N-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide

C12H13N3O2S — CID 106921432

IUPAC3-amino-N,N-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide
SMILESCN(C)C(=O)c1ccc(Sc2ncco2)c(N)c1
InChIInChI=1S/C12H13N3O2S/c1-15(2)11(16)8-3-4-10(9(13)7-8)18-12-14-5-6-17-12/h3-7H,13H2,1-2H3
InChIKeyQKAXKTWYERDDET-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.11
Rot. Bonds3

About 3-amino-N,N-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide

3-amino-N,N-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide (PubChem CID 106921432) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide
PubChem CID106921432
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name3-amino-N,N-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide
SMILESCN(C)C(=O)c1ccc(Sc2ncco2)c(N)c1
InChIInChI=1S/C12H13N3O2S/c1-15(2)11(16)8-3-4-10(9(13)7-8)18-12-14-5-6-17-12/h3-7H,13H2,1-2H3
InChIKeyQKAXKTWYERDDET-UHFFFAOYSA-N
XLogP2.11
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-fluoro-2-formylphenyl)sulfanyl-3-(methylamino)-N-[2-(1,3-oxazol-5-yl)ethyl]benzamide
CID 144921901
2-(1,3-Oxazol-2-ylsulfanyl)-5-(trifluoromethyl)aniline
CID 106921301
5-Amino-2-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid
CID 106921450
2-Amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106924119
2-(1,3-Oxazol-2-ylsulfanyl)benzamide
CID 18399902
N-(1,3-oxazol-5-ylmethyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 124192052
2-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 140503385
4-(cyclohexa-1,5-dien-1-ylmethyl)-N-(1,3-oxazol-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
CID 142502236
4-benzyl-N-(1,3-oxazol-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
CID 146579266
1-[3-Nitro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
CID 106898487
5-Methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921296
3-Methyl-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921298

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide (CID 106921432) is 3-amino-N,N-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide is CN(C)C(=O)c1ccc(Sc2ncco2)c(N)c1.
What is the InChIKey of 3-amino-N,N-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide?
The InChIKey is QKAXKTWYERDDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-15(2)11(16)8-3-4-10(9(13)7-8)18-12-14-5-6-17-12/h3-7H,13H2,1-2H3.
What are the key properties of 3-amino-N,N-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide?
3-amino-N,N-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide has a molecular weight of 263.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide is sourced from PubChem (CID 106921432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).