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

C13H15N3O2S — CID 106921621

IUPAC4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1Sc1nc(C)c(C)o1
InChIInChI=1S/C13H15N3O2S/c1-7-8(2)18-13(16-7)19-11-6-9(14)4-5-10(11)12(17)15-3/h4-6H,14H2,1-3H3,(H,15,17)
InChIKeyNDGFSOMAOIBOTG-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.38
Rot. Bonds3

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

4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylbenzamide (PubChem CID 106921621) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylbenzamide
PubChem CID106921621
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1Sc1nc(C)c(C)o1
InChIInChI=1S/C13H15N3O2S/c1-7-8(2)18-13(16-7)19-11-6-9(14)4-5-10(11)12(17)15-3/h4-6H,14H2,1-3H3,(H,15,17)
InChIKeyNDGFSOMAOIBOTG-UHFFFAOYSA-N
XLogP2.38
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.38
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

CID 9423173
CID 9423173
CID 9422628
CID 9422628
CID 9457421
CID 9457421
CID 54882256
CID 54882256
CID 55640038
CID 55640038
CID 55640100
CID 55640100
CID 55868853
CID 55868853
CID 60436646
CID 60436646
CID 60436689
CID 60436689
CID 64057926
CID 64057926
CID 75381544
CID 75381544
CID 78837118
CID 78837118

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylbenzamide?
The IUPAC name of 4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylbenzamide (CID 106921621) is 4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylbenzamide.
What is the SMILES notation for 4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylbenzamide?
The canonical SMILES for 4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylbenzamide is CNC(=O)c1ccc(N)cc1Sc1nc(C)c(C)o1.
What is the InChIKey of 4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylbenzamide?
The InChIKey is NDGFSOMAOIBOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-7-8(2)18-13(16-7)19-11-6-9(14)4-5-10(11)12(17)15-3/h4-6H,14H2,1-3H3,(H,15,17).
What are the key properties of 4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylbenzamide?
4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylbenzamide has a molecular weight of 277.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylbenzamide is sourced from PubChem (CID 106921621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).