N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide

C13H14N2O4 — CID 114344508

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide
SMILESCc1noc(C)c1CNC(=O)c1cccc(O)c1O
InChIInChI=1S/C13H14N2O4/c1-7-10(8(2)19-15-7)6-14-13(18)9-4-3-5-11(16)12(9)17/h3-5,16-17H,6H2,1-2H3,(H,14,18)
InChIKeyGBNBCXAJRKJWFY-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.63
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide (PubChem CID 114344508) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide
PubChem CID114344508
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide
SMILESCc1noc(C)c1CNC(=O)c1cccc(O)c1O
InChIInChI=1S/C13H14N2O4/c1-7-10(8(2)19-15-7)6-14-13(18)9-4-3-5-11(16)12(9)17/h3-5,16-17H,6H2,1-2H3,(H,14,18)
InChIKeyGBNBCXAJRKJWFY-UHFFFAOYSA-N
XLogP1.63
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
CID 103865338
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-4-carboxamide
CID 112528637
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4-trifluorobenzamide
CID 110730995
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide
CID 79241601
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-2-methylbenzamide
CID 112702398
3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-nitrobenzamide
CID 79831298
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide
CID 47861733
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide
CID 106686991
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluorobenzamide
CID 47861608
2-(3-aminoprop-1-ynyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzamide
CID 79231101
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethoxybenzamide
CID 47861665
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 104627877

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide (CID 114344508) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide is Cc1noc(C)c1CNC(=O)c1cccc(O)c1O.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide?
The InChIKey is GBNBCXAJRKJWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-7-10(8(2)19-15-7)6-14-13(18)9-4-3-5-11(16)12(9)17/h3-5,16-17H,6H2,1-2H3,(H,14,18).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide has a molecular weight of 262.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide is sourced from PubChem (CID 114344508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).