N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide

C18H15FN2O2 — CID 16866853

IUPACN-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cc(-c3ccc(F)cc3)on2)cc1
InChIInChI=1S/C18H15FN2O2/c1-12-2-4-14(5-3-12)18(22)20-11-16-10-17(23-21-16)13-6-8-15(19)9-7-13/h2-10H,11H2,1H3,(H,20,22)
InChIKeyJTSWMRMFWPOVES-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.72
Rot. Bonds4

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

N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide (PubChem CID 16866853) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide
PubChem CID16866853
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC NameN-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cc(-c3ccc(F)cc3)on2)cc1
InChIInChI=1S/C18H15FN2O2/c1-12-2-4-14(5-3-12)18(22)20-11-16-10-17(23-21-16)13-6-8-15(19)9-7-13/h2-10H,11H2,1H3,(H,20,22)
InChIKeyJTSWMRMFWPOVES-UHFFFAOYSA-N
XLogP3.72
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866880
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methylbenzamide
CID 16866852
3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866600
4-methoxy-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866605
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 91766494
2,6-difluoro-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866628
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide
CID 16866858
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide
CID 16866727
4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866729
4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 3506531
2-methyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866597
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-iodobenzamide
CID 16866881

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide?
The IUPAC name of N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide (CID 16866853) is N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2cc(-c3ccc(F)cc3)on2)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide?
The InChIKey is JTSWMRMFWPOVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-12-2-4-14(5-3-12)18(22)20-11-16-10-17(23-21-16)13-6-8-15(19)9-7-13/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide?
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide has a molecular weight of 310.33 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 16866853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).