2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide

C12H10Cl2N2O2 — CID 47728420

IUPAC2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2cc(Cl)ccc2Cl)no1
InChIInChI=1S/C12H10Cl2N2O2/c1-7-4-9(16-18-7)6-15-12(17)10-5-8(13)2-3-11(10)14/h2-5H,6H2,1H3,(H,15,17)
InChIKeyXRXXSXBDHUURTJ-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.22
Rot. Bonds3

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

2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (PubChem CID 47728420) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
PubChem CID47728420
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2cc(Cl)ccc2Cl)no1
InChIInChI=1S/C12H10Cl2N2O2/c1-7-4-9(16-18-7)6-15-12(17)10-5-8(13)2-3-11(10)14/h2-5H,6H2,1H3,(H,15,17)
InChIKeyXRXXSXBDHUURTJ-UHFFFAOYSA-N
XLogP3.22
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 62181201
3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47404576
3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-nitrobenzamide
CID 79831310
1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 110747513
2-hydroxy-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47398917
4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 80994028
2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855023
5-fluoro-2-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79524592
2-amino-4-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 63110385
2-amino-4-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79722571
1-(4-chloro-2-fluorophenyl)-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide
CID 71999476
3,5-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 104938925

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (CID 47728420) is 2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is Cc1cc(CNC(=O)c2cc(Cl)ccc2Cl)no1.
What is the InChIKey of 2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The InChIKey is XRXXSXBDHUURTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-7-4-9(16-18-7)6-15-12(17)10-5-8(13)2-3-11(10)14/h2-5H,6H2,1H3,(H,15,17).
What are the key properties of 2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide has a molecular weight of 285.13 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is sourced from PubChem (CID 47728420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).