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

C13H13FN2O2 — CID 110714768

IUPACN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzamide
SMILESCc1nc(C)c(CNC(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C13H13FN2O2/c1-8-12(18-9(2)16-8)7-15-13(17)10-3-5-11(14)6-4-10/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyDBBKKLXLNXAPIY-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.36
Rot. Bonds3

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

N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzamide (PubChem CID 110714768) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzamide
PubChem CID110714768
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC NameN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzamide
SMILESCc1nc(C)c(CNC(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C13H13FN2O2/c1-8-12(18-9(2)16-8)7-15-13(17)10-3-5-11(14)6-4-10/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyDBBKKLXLNXAPIY-UHFFFAOYSA-N
XLogP2.36
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 110714802
3-(dimethylamino)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzamide
CID 110742450
N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4253499
4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 3506531
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide
CID 16866853
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-3-methylbut-2-enamide
CID 130642952
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 110714751
N-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9270477
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide
CID 108807948
[4-[[(4-fluorobenzoyl)amino]methyl]phenyl]boronic acid
CID 140784388
N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-fluorobenzamide
CID 664776
N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzamide (CID 110714768) is N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzamide is Cc1nc(C)c(CNC(=O)c2ccc(F)cc2)o1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzamide?
The InChIKey is DBBKKLXLNXAPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-8-12(18-9(2)16-8)7-15-13(17)10-3-5-11(14)6-4-10/h3-6H,7H2,1-2H3,(H,15,17).
What are the key properties of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzamide?
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzamide has a molecular weight of 248.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 110714768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).