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

C18H15FN2O2 — CID 16866852

IUPACN-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2cc(-c3ccc(F)cc3)on2)c1
InChIInChI=1S/C18H15FN2O2/c1-12-3-2-4-14(9-12)18(22)20-11-16-10-17(23-21-16)13-5-7-15(19)8-6-13/h2-10H,11H2,1H3,(H,20,22)
InChIKeyYNGYCJSOHFXMEG-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.72
Rot. Bonds4

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

N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methylbenzamide (PubChem CID 16866852) 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]-3-methylbenzamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methylbenzamide
PubChem CID16866852
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC NameN-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2cc(-c3ccc(F)cc3)on2)c1
InChIInChI=1S/C18H15FN2O2/c1-12-3-2-4-14(9-12)18(22)20-11-16-10-17(23-21-16)13-5-7-15(19)8-6-13/h2-10H,11H2,1H3,(H,20,22)
InChIKeyYNGYCJSOHFXMEG-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

N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide
CID 16866853
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide
CID 16866858
3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866600
4-bromo-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866880
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]-2-(3-methylphenoxy)acetamide
CID 16866920
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 91766494
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide
CID 16866727
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-iodobenzamide
CID 16866881
3-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 16866948
4-methoxy-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866605
2-methyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866597

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methylbenzamide?
The IUPAC name of N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methylbenzamide (CID 16866852) is N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methylbenzamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methylbenzamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCc2cc(-c3ccc(F)cc3)on2)c1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methylbenzamide?
The InChIKey is YNGYCJSOHFXMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-12-3-2-4-14(9-12)18(22)20-11-16-10-17(23-21-16)13-5-7-15(19)8-6-13/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methylbenzamide?
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-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]-3-methylbenzamide is sourced from PubChem (CID 16866852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).