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

C14H17N3O2S — CID 106921623

IUPAC4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)cc1Sc1nc(C)c(C)o1
InChIInChI=1S/C14H17N3O2S/c1-4-16-13(18)11-6-5-10(15)7-12(11)20-14-17-8(2)9(3)19-14/h5-7H,4,15H2,1-3H3,(H,16,18)
InChIKeyUDOAPXOZGRHYII-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.77
Rot. Bonds4

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

4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide (PubChem CID 106921623) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide
PubChem CID106921623
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)cc1Sc1nc(C)c(C)o1
InChIInChI=1S/C14H17N3O2S/c1-4-16-13(18)11-6-5-10(15)7-12(11)20-14-17-8(2)9(3)19-14/h5-7H,4,15H2,1-3H3,(H,16,18)
InChIKeyUDOAPXOZGRHYII-UHFFFAOYSA-N
XLogP2.77
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.77
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-Fluoro-4-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methylamino]benzamide
CID 132305913
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzamide
CID 106368714
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzamide
CID 106368797
1-[4-(4-Acetyl-2-fluorophenyl)piperazin-1-yl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 133793432
N-(4-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9423173
N-(3-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9422628
N-(4-{[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl}phenyl)acetamide
CID 9457421
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)methylamino]benzamide
CID 54882256
N-benzyl-2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 55640037
3-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]-N,N-diethylbenzamide
CID 55640038
4-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]-N,N-diethylbenzamide
CID 55640100
N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]-2-methylsulfanylphenyl]acetamide
CID 55868853

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide?
The IUPAC name of 4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide (CID 106921623) is 4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide.
What is the SMILES notation for 4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide?
The canonical SMILES for 4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide is CCNC(=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-ethylbenzamide?
The InChIKey is UDOAPXOZGRHYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-4-16-13(18)11-6-5-10(15)7-12(11)20-14-17-8(2)9(3)19-14/h5-7H,4,15H2,1-3H3,(H,16,18).
What are the key properties of 4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide?
4-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide has a molecular weight of 291.38 g/mol, XLogP of 2.77, 4 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-ethylbenzamide is sourced from PubChem (CID 106921623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).