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

C12H13N3O2S — CID 106924162

IUPAC2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzamide
SMILESCc1nc(Sc2ccc(N)c(C(N)=O)c2)oc1C
InChIInChI=1S/C12H13N3O2S/c1-6-7(2)17-12(15-6)18-8-3-4-10(13)9(5-8)11(14)16/h3-5H,13H2,1-2H3,(H2,14,16)
InChIKeyRCUFGNFGTNTEQN-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.12
Rot. Bonds3

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

2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzamide (PubChem CID 106924162) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzamide.

Molecular Properties

Compound Name2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzamide
PubChem CID106924162
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzamide
SMILESCc1nc(Sc2ccc(N)c(C(N)=O)c2)oc1C
InChIInChI=1S/C12H13N3O2S/c1-6-7(2)17-12(15-6)18-8-3-4-10(13)9(5-8)11(14)16/h3-5H,13H2,1-2H3,(H2,14,16)
InChIKeyRCUFGNFGTNTEQN-UHFFFAOYSA-N
XLogP2.12
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.12
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

5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline
CID 106921620
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)benzoic acid
CID 106926107
1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
CID 106923049
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzoic acid
CID 106926098
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N'-hydroxybenzenecarboximidamide
CID 113228227
2-amino-5-(2,5-dimethylpyrazol-3-yl)sulfanylbenzamide
CID 62403583
ethyl 4-amino-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzoate
CID 106924165
2-amino-5-(4,6-dimethylpyrimidin-2-yl)sulfanylbenzoic acid
CID 62303956
4-amino-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide
CID 106921684
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline
CID 106921700
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923052
ethyl 3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzoate
CID 106924173

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The IUPAC name of 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzamide (CID 106924162) is 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzamide.
What is the SMILES notation for 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The canonical SMILES for 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzamide is Cc1nc(Sc2ccc(N)c(C(N)=O)c2)oc1C.
What is the InChIKey of 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The InChIKey is RCUFGNFGTNTEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-6-7(2)17-12(15-6)18-8-3-4-10(13)9(5-8)11(14)16/h3-5H,13H2,1-2H3,(H2,14,16).
What are the key properties of 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzamide has a molecular weight of 263.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzamide is sourced from PubChem (CID 106924162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).