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

C12H13N3O3 — CID 113386525

IUPAC3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
SMILESCc1noc(NC(=O)c2cccc(N)c2O)c1C
InChIInChI=1S/C12H13N3O3/c1-6-7(2)15-18-12(6)14-11(17)8-4-3-5-9(13)10(8)16/h3-5,16H,13H2,1-2H3,(H,14,17)
InChIKeyNDPQYFLOSVZJQH-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.83
Rot. Bonds2

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

3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide (PubChem CID 113386525) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
PubChem CID113386525
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
SMILESCc1noc(NC(=O)c2cccc(N)c2O)c1C
InChIInChI=1S/C12H13N3O3/c1-6-7(2)15-18-12(6)14-11(17)8-4-3-5-9(13)10(8)16/h3-5,16H,13H2,1-2H3,(H,14,17)
InChIKeyNDPQYFLOSVZJQH-UHFFFAOYSA-N
XLogP1.83
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide
CID 65488700
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-ethoxybenzamide
CID 81420752
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide
CID 65486415
2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide
CID 113339739
6-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide
CID 65479587
4-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 65488539
4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 65488541
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methoxybenzamide
CID 115413411
N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-hydrazinylpyridine-2-carboxamide
CID 65480786
3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-carboxamide
CID 65488511
3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]benzoic acid
CID 65482154
2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]benzoic acid
CID 104601623

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide?
The IUPAC name of 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide (CID 113386525) is 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide.
What is the SMILES notation for 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide?
The canonical SMILES for 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide is Cc1noc(NC(=O)c2cccc(N)c2O)c1C.
What is the InChIKey of 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide?
The InChIKey is NDPQYFLOSVZJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-6-7(2)15-18-12(6)14-11(17)8-4-3-5-9(13)10(8)16/h3-5,16H,13H2,1-2H3,(H,14,17).
What are the key properties of 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide?
3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide has a molecular weight of 247.25 g/mol, XLogP of 1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide is sourced from PubChem (CID 113386525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).