3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide

C12H11ClN2O3 — CID 47404576

IUPAC3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(O)c(Cl)c2)no1
InChIInChI=1S/C12H11ClN2O3/c1-7-4-9(15-18-7)6-14-12(17)8-2-3-11(16)10(13)5-8/h2-5,16H,6H2,1H3,(H,14,17)
InChIKeyMWVYMMAKIXNLFZ-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.27
Rot. Bonds3

About 3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide

3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (PubChem CID 47404576) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
PubChem CID47404576
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(O)c(Cl)c2)no1
InChIInChI=1S/C12H11ClN2O3/c1-7-4-9(15-18-7)6-14-12(17)8-2-3-11(16)10(13)5-8/h2-5,16H,6H2,1H3,(H,14,17)
InChIKeyMWVYMMAKIXNLFZ-UHFFFAOYSA-N
XLogP2.27
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 80994028
3-chloro-4-hydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 79492078
3,5-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 104938925
3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79466321
2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728420
3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47900987
6-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide
CID 66464919
3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 62181201
6-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide
CID 62160023
5-fluoro-2-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79524592
2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide
CID 55041801
4-amino-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 89340281

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (CID 47404576) is 3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is Cc1cc(CNC(=O)c2ccc(O)c(Cl)c2)no1.
What is the InChIKey of 3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The InChIKey is MWVYMMAKIXNLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-7-4-9(15-18-7)6-14-12(17)8-2-3-11(16)10(13)5-8/h2-5,16H,6H2,1H3,(H,14,17).
What are the key properties of 3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide has a molecular weight of 266.68 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is sourced from PubChem (CID 47404576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).