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

C13H15N3O2S — CID 106921539

IUPAC3-amino-N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
SMILESCCNC(=O)c1ccc(Sc2nc(C)co2)c(N)c1
InChIInChI=1S/C13H15N3O2S/c1-3-15-12(17)9-4-5-11(10(14)6-9)19-13-16-8(2)7-18-13/h4-7H,3,14H2,1-2H3,(H,15,17)
InChIKeyXYGYENVNDTZKKO-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.47
Rot. Bonds4

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

3-amino-N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide (PubChem CID 106921539) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
PubChem CID106921539
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-amino-N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
SMILESCCNC(=O)c1ccc(Sc2nc(C)co2)c(N)c1
InChIInChI=1S/C13H15N3O2S/c1-3-15-12(17)9-4-5-11(10(14)6-9)19-13-16-8(2)7-18-13/h4-7H,3,14H2,1-2H3,(H,15,17)
InChIKeyXYGYENVNDTZKKO-UHFFFAOYSA-N
XLogP2.47
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.47
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-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-5-(trifluoromethyl)aniline
CID 106921458
N-[[3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]-2-methoxyethanamine
CID 106926596
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 18383352
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 18383552
4-cyclohexyl-N-propyl-[1,3]oxazolo[5,4-b][1,5]benzothiazepine-7-carboxamide
CID 25013645
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 69926133
N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 69927721
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 69993292
N-(7-azabicyclo[2.2.1]heptan-2-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 77756383
2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 140431135
3-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]-N,N-diethylbenzamide
CID 55640038
3-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]-N,N-dimethylbenzamide
CID 60436646

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The IUPAC name of 3-amino-N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide (CID 106921539) is 3-amino-N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide is CCNC(=O)c1ccc(Sc2nc(C)co2)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The InChIKey is XYGYENVNDTZKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-3-15-12(17)9-4-5-11(10(14)6-9)19-13-16-8(2)7-18-13/h4-7H,3,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
3-amino-N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide has a molecular weight of 277.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide is sourced from PubChem (CID 106921539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).