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

C13H12ClFN2O2 — CID 103949119

IUPAC5-chloro-2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
SMILESCc1cnc(C(C)NC(=O)c2cc(Cl)ccc2F)o1
InChIInChI=1S/C13H12ClFN2O2/c1-7-6-16-13(19-7)8(2)17-12(18)10-5-9(14)3-4-11(10)15/h3-6,8H,1-2H3,(H,17,18)
InChIKeyPUBMWMGVUITVBP-UHFFFAOYSA-N
MW282.70 g/mol
LogP3.27
Rot. Bonds3

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

5-chloro-2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide (PubChem CID 103949119) has the molecular formula C13H12ClFN2O2 and a molecular weight of 282.70 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
PubChem CID103949119
Molecular FormulaC13H12ClFN2O2
Molecular Weight282.70 g/mol
Exact Mass282.06
IUPAC Name5-chloro-2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
SMILESCc1cnc(C(C)NC(=O)c2cc(Cl)ccc2F)o1
InChIInChI=1S/C13H12ClFN2O2/c1-7-6-16-13(19-7)8(2)17-12(18)10-5-9(14)3-4-11(10)15/h3-6,8H,1-2H3,(H,17,18)
InChIKeyPUBMWMGVUITVBP-UHFFFAOYSA-N
XLogP3.27
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
CID 103949111
4-chloro-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzoic acid
CID 106389853
2-hydroxy-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 103949071
3-chloro-4-hydroxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 103950224
5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide
CID 60674629
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyridine-3-carboxamide
CID 106388118
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388094
6-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2-carboxamide
CID 103950214
2-amino-4-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 106388368
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
4-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 114182279

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide (CID 103949119) is 5-chloro-2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide is Cc1cnc(C(C)NC(=O)c2cc(Cl)ccc2F)o1.
What is the InChIKey of 5-chloro-2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?
The InChIKey is PUBMWMGVUITVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2/c1-7-6-16-13(19-7)8(2)17-12(18)10-5-9(14)3-4-11(10)15/h3-6,8H,1-2H3,(H,17,18).
What are the key properties of 5-chloro-2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?
5-chloro-2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide has a molecular weight of 282.70 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 103949119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).