3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzamide

C13H15N3O4S — CID 65486795

IUPAC3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzamide
SMILESCc1noc(NC(=O)c2cc(N)cc(S(C)(=O)=O)c2)c1C
InChIInChI=1S/C13H15N3O4S/c1-7-8(2)16-20-13(7)15-12(17)9-4-10(14)6-11(5-9)21(3,18)19/h4-6H,14H2,1-3H3,(H,15,17)
InChIKeyPAUWTHAISGWRET-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.53
Rot. Bonds3

About 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzamide

3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzamide (PubChem CID 65486795) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzamide
PubChem CID65486795
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzamide
SMILESCc1noc(NC(=O)c2cc(N)cc(S(C)(=O)=O)c2)c1C
InChIInChI=1S/C13H15N3O4S/c1-7-8(2)16-20-13(7)15-12(17)9-4-10(14)6-11(5-9)21(3,18)19/h4-6H,14H2,1-3H3,(H,15,17)
InChIKeyPAUWTHAISGWRET-UHFFFAOYSA-N
XLogP1.53
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-methylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 55009778
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxamide
CID 65487175
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide
CID 65486415
3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]benzoic acid
CID 65482154
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methoxybenzamide
CID 115413411
3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-carboxamide
CID 65488511
3-amino-N-(1-amino-1-oxopropan-2-yl)-5-methylsulfonylbenzamide
CID 55010113
3-amino-5-methylsulfonyl-N-prop-2-ynylbenzamide
CID 55009391
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-4-(methylamino)benzamide
CID 65480384
4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 65488541
5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrazine-2-carboxamide
CID 107375965
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide
CID 65488700

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzamide?
The IUPAC name of 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzamide (CID 65486795) is 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzamide.
What is the SMILES notation for 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzamide?
The canonical SMILES for 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzamide is Cc1noc(NC(=O)c2cc(N)cc(S(C)(=O)=O)c2)c1C.
What is the InChIKey of 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzamide?
The InChIKey is PAUWTHAISGWRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-7-8(2)16-20-13(7)15-12(17)9-4-10(14)6-11(5-9)21(3,18)19/h4-6H,14H2,1-3H3,(H,15,17).
What are the key properties of 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzamide?
3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzamide has a molecular weight of 309.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzamide is sourced from PubChem (CID 65486795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).