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

C13H12ClFN2O2 — CID 47864008

IUPAC5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-fluorobenzamide
SMILESCc1noc(C)c1CNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C13H12ClFN2O2/c1-7-11(8(2)19-17-7)6-16-13(18)10-5-9(14)3-4-12(10)15/h3-5H,6H2,1-2H3,(H,16,18)
InChIKeyNFIINXMRVVNHRS-UHFFFAOYSA-N
MW282.70 g/mol
LogP3.01
Rot. Bonds3

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

5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-fluorobenzamide (PubChem CID 47864008) has the molecular formula C13H12ClFN2O2 and a molecular weight of 282.70 g/mol. Its IUPAC name is 5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-fluorobenzamide
PubChem CID47864008
Molecular FormulaC13H12ClFN2O2
Molecular Weight282.70 g/mol
Exact Mass282.06
IUPAC Name5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-fluorobenzamide
SMILESCc1noc(C)c1CNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C13H12ClFN2O2/c1-7-11(8(2)19-17-7)6-16-13(18)10-5-9(14)3-4-12(10)15/h3-5H,6H2,1-2H3,(H,16,18)
InChIKeyNFIINXMRVVNHRS-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-fluorobenzamide (CID 47864008) is 5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-fluorobenzamide is Cc1noc(C)c1CNC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-fluorobenzamide?
The InChIKey is NFIINXMRVVNHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2/c1-7-11(8(2)19-17-7)6-16-13(18)10-5-9(14)3-4-12(10)15/h3-5H,6H2,1-2H3,(H,16,18).
What are the key properties of 5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-fluorobenzamide?
5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-fluorobenzamide has a molecular weight of 282.70 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 47864008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).