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

C13H14N2O3 — CID 79241601

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide
SMILESCc1noc(C)c1CNC(=O)c1cccc(O)c1
InChIInChI=1S/C13H14N2O3/c1-8-12(9(2)18-15-8)7-14-13(17)10-4-3-5-11(16)6-10/h3-6,16H,7H2,1-2H3,(H,14,17)
InChIKeyGNJRIFBPEGSNIZ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.93
Rot. Bonds3

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide (PubChem CID 79241601) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide
PubChem CID79241601
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide
SMILESCc1noc(C)c1CNC(=O)c1cccc(O)c1
InChIInChI=1S/C13H14N2O3/c1-8-12(9(2)18-15-8)7-14-13(17)10-4-3-5-11(16)6-10/h3-6,16H,7H2,1-2H3,(H,14,17)
InChIKeyGNJRIFBPEGSNIZ-UHFFFAOYSA-N
XLogP1.93
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide
CID 47861733
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 104627877
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]-2,3-dihydroxybenzamide
CID 114344508
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 47864349
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]benzamide
CID 47935404
3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzamide
CID 103707100
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbenzamide
CID 110422781
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 34066495
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 55846787
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 135098958
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-6-carboxamide
CID 112528639

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide (CID 79241601) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide is Cc1noc(C)c1CNC(=O)c1cccc(O)c1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide?
The InChIKey is GNJRIFBPEGSNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-12(9(2)18-15-8)7-14-13(17)10-4-3-5-11(16)6-10/h3-6,16H,7H2,1-2H3,(H,14,17).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide has a molecular weight of 246.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide is sourced from PubChem (CID 79241601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).