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

C14H17N3O2S — CID 106921684

IUPAC4-amino-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)c(Sc2nc(C)c(C)o2)c1
InChIInChI=1S/C14H17N3O2S/c1-4-16-13(18)10-5-6-11(15)12(7-10)20-14-17-8(2)9(3)19-14/h5-7H,4,15H2,1-3H3,(H,16,18)
InChIKeyDUSIDMGREFBZQM-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.77
Rot. Bonds4

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

4-amino-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide (PubChem CID 106921684) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-amino-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-amino-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide
PubChem CID106921684
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-amino-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)c(Sc2nc(C)c(C)o2)c1
InChIInChI=1S/C14H17N3O2S/c1-4-16-13(18)10-5-6-11(15)12(7-10)20-14-17-8(2)9(3)19-14/h5-7H,4,15H2,1-3H3,(H,16,18)
InChIKeyDUSIDMGREFBZQM-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

ethyl 4-amino-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzoate
CID 106924165
ethyl 3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzoate
CID 106924173
4-amino-N-ethyl-3-(3-methylphenyl)sulfanylbenzamide
CID 63358524
4-amino-N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]benzamide
CID 104602752
4-amino-N-ethyl-3-(2-methoxyethylsulfanyl)benzamide
CID 55190903
4-amino-N-ethyl-3-(2-methylsulfonylethylsulfanyl)benzamide
CID 63658099
4-amino-3-(2,3-dihydroxypropylsulfanyl)-N-ethylbenzamide
CID 79682265
3-amino-N-ethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide
CID 83000151
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline
CID 106921700
2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 106924162
4-amino-3-[(4-chlorophenyl)methylsulfanyl]-N-ethylbenzamide
CID 114790171
3-amino-N-ethyl-4-ethylsulfanylbenzamide
CID 83000148

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide?
The IUPAC name of 4-amino-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide (CID 106921684) is 4-amino-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide.
What is the SMILES notation for 4-amino-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide?
The canonical SMILES for 4-amino-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide is CCNC(=O)c1ccc(N)c(Sc2nc(C)c(C)o2)c1.
What is the InChIKey of 4-amino-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide?
The InChIKey is DUSIDMGREFBZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-4-16-13(18)10-5-6-11(15)12(7-10)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-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide?
4-amino-3-[(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-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide is sourced from PubChem (CID 106921684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).