N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C18H15FN2O2 — CID 50805807

IUPACN-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccccc1
InChIInChI=1S/C18H15FN2O2/c1-12-16(18(22)20-11-13-5-3-2-4-6-13)17(21-23-12)14-7-9-15(19)10-8-14/h2-10H,11H2,1H3,(H,20,22)
InChIKeyALUISVKURXPRRB-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.72
Rot. Bonds4

About N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 50805807) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID50805807
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC NameN-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccccc1
InChIInChI=1S/C18H15FN2O2/c1-12-16(18(22)20-11-13-5-3-2-4-6-13)17(21-23-12)14-7-9-15(19)10-8-14/h2-10H,11H2,1H3,(H,20,22)
InChIKeyALUISVKURXPRRB-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

3-(4-fluorophenyl)-5-methyl-N-(naphthalen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 75402959
N-[2-(4-fluorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 831462
3-(3-fluorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 50805643
3-(4-fluorophenyl)-5-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 55797810
5-methyl-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 134054985
N-[[3-(methanesulfonamidomethyl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 167854783
N-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35702435
N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 42365858
N-[(1,5-dimethylpyrrol-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 17423337
3-(4-fluorophenyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-4-carboxamide
CID 39128435
N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 32826150
3-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 986975

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 50805807) is N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is ALUISVKURXPRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-12-16(18(22)20-11-13-5-3-2-4-6-13)17(21-23-12)14-7-9-15(19)10-8-14/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide 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-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 50805807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).