5-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydroxybenzamide

C13H13ClN2O3 — CID 104890839

IUPAC5-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydroxybenzamide
SMILESCCc1cnc(CNC(=O)c2cc(Cl)ccc2O)o1
InChIInChI=1S/C13H13ClN2O3/c1-2-9-6-15-12(19-9)7-16-13(18)10-5-8(14)3-4-11(10)17/h3-6,17H,2,7H2,1H3,(H,16,18)
InChIKeyOATZCPKWZOUICG-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.53
Rot. Bonds4

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

5-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydroxybenzamide (PubChem CID 104890839) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 5-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydroxybenzamide
PubChem CID104890839
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name5-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydroxybenzamide
SMILESCCc1cnc(CNC(=O)c2cc(Cl)ccc2O)o1
InChIInChI=1S/C13H13ClN2O3/c1-2-9-6-15-12(19-9)7-16-13(18)10-5-8(14)3-4-11(10)17/h3-6,17H,2,7H2,1H3,(H,16,18)
InChIKeyOATZCPKWZOUICG-UHFFFAOYSA-N
XLogP2.53
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 106372873
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide
CID 106368562
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-hydroxy-4-methoxybenzamide
CID 106372869
3-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(methylamino)pyridine-2-carboxamide
CID 106376888
3-chloro-6-(ethylamino)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2-carboxamide
CID 106376933
5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62848141
5-fluoro-2-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 103739171
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide
CID 106377037
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-hydrazinylpyridine-4-carboxamide
CID 106377464
2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106368469
5-chloro-2-hydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49345861
5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide
CID 104935632

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydroxybenzamide (CID 104890839) is 5-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydroxybenzamide is CCc1cnc(CNC(=O)c2cc(Cl)ccc2O)o1.
What is the InChIKey of 5-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydroxybenzamide?
The InChIKey is OATZCPKWZOUICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-2-9-6-15-12(19-9)7-16-13(18)10-5-8(14)3-4-11(10)17/h3-6,17H,2,7H2,1H3,(H,16,18).
What are the key properties of 5-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydroxybenzamide?
5-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydroxybenzamide has a molecular weight of 280.71 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydroxybenzamide is sourced from PubChem (CID 104890839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).