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

C22H17FN2O2 — CID 75402959

IUPAC3-(4-fluorophenyl)-5-methyl-N-(naphthalen-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccc2ccccc2c1
InChIInChI=1S/C22H17FN2O2/c1-14-20(21(25-27-14)17-8-10-19(23)11-9-17)22(26)24-13-15-6-7-16-4-2-3-5-18(16)12-15/h2-12H,13H2,1H3,(H,24,26)
InChIKeyFWTIEFOHRAVBTI-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.87
Rot. Bonds4

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

3-(4-fluorophenyl)-5-methyl-N-(naphthalen-2-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 75402959) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-N-(naphthalen-2-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-N-(naphthalen-2-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID75402959
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Name3-(4-fluorophenyl)-5-methyl-N-(naphthalen-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccc2ccccc2c1
InChIInChI=1S/C22H17FN2O2/c1-14-20(21(25-27-14)17-8-10-19(23)11-9-17)22(26)24-13-15-6-7-16-4-2-3-5-18(16)12-15/h2-12H,13H2,1H3,(H,24,26)
InChIKeyFWTIEFOHRAVBTI-UHFFFAOYSA-N
XLogP4.87
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805807
3-(3-fluorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 50805643
N-[2-(4-fluorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 831462
3-(4-fluorophenyl)-5-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 55797810
N-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35702435
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-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60579554
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-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 16866948
N-[3-[(4-fluorophenyl)methoxy]phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 34608313

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-N-(naphthalen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-N-(naphthalen-2-ylmethyl)-1,2-oxazole-4-carboxamide (CID 75402959) is 3-(4-fluorophenyl)-5-methyl-N-(naphthalen-2-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-N-(naphthalen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-N-(naphthalen-2-ylmethyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccc2ccccc2c1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-N-(naphthalen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is FWTIEFOHRAVBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2/c1-14-20(21(25-27-14)17-8-10-19(23)11-9-17)22(26)24-13-15-6-7-16-4-2-3-5-18(16)12-15/h2-12H,13H2,1H3,(H,24,26).
What are the key properties of 3-(4-fluorophenyl)-5-methyl-N-(naphthalen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
3-(4-fluorophenyl)-5-methyl-N-(naphthalen-2-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-N-(naphthalen-2-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 75402959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).