4-[(4-fluorophenoxy)methyl]-5-methyl-N-(2-phenylsulfanylphenyl)-1,2-oxazole-3-carboxamide

C24H19FN2O3S — CID 19445270

IUPAC4-[(4-fluorophenoxy)methyl]-5-methyl-N-(2-phenylsulfanylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccccc2Sc2ccccc2)c1COc1ccc(F)cc1
InChIInChI=1S/C24H19FN2O3S/c1-16-20(15-29-18-13-11-17(25)12-14-18)23(27-30-16)24(28)26-21-9-5-6-10-22(21)31-19-7-3-2-4-8-19/h2-14H,15H2,1H3,(H,26,28)
InChIKeyDKLIBAYPTWPYKJ-UHFFFAOYSA-N
MW434.49 g/mol
LogP6.10
Rot. Bonds7

About 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(2-phenylsulfanylphenyl)-1,2-oxazole-3-carboxamide

4-[(4-fluorophenoxy)methyl]-5-methyl-N-(2-phenylsulfanylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 19445270) has the molecular formula C24H19FN2O3S and a molecular weight of 434.49 g/mol. Its IUPAC name is 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(2-phenylsulfanylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenoxy)methyl]-5-methyl-N-(2-phenylsulfanylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID19445270
Molecular FormulaC24H19FN2O3S
Molecular Weight434.49 g/mol
Exact Mass434.11
IUPAC Name4-[(4-fluorophenoxy)methyl]-5-methyl-N-(2-phenylsulfanylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccccc2Sc2ccccc2)c1COc1ccc(F)cc1
InChIInChI=1S/C24H19FN2O3S/c1-16-20(15-29-18-13-11-17(25)12-14-18)23(27-30-16)24(28)26-21-9-5-6-10-22(21)31-19-7-3-2-4-8-19/h2-14H,15H2,1H3,(H,26,28)
InChIKeyDKLIBAYPTWPYKJ-UHFFFAOYSA-N
XLogP6.10
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide
CID 19445338
N-(2-methoxyphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488591
4-[(4-chlorophenoxy)methyl]-N-(2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443644
N-(2-ethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19492323
4-[(4-fluorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445267
N-(4-acetylphenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445305
N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445238
N-butan-2-yl-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445363
4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxamide
CID 19445250
N-(5-chloro-2-pyridinyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445278
N-(3-chloro-2-methylphenyl)-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443591
4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 19445345

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(2-phenylsulfanylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(2-phenylsulfanylphenyl)-1,2-oxazole-3-carboxamide (CID 19445270) is 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(2-phenylsulfanylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(2-phenylsulfanylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(2-phenylsulfanylphenyl)-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2ccccc2Sc2ccccc2)c1COc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(2-phenylsulfanylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is DKLIBAYPTWPYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3S/c1-16-20(15-29-18-13-11-17(25)12-14-18)23(27-30-16)24(28)26-21-9-5-6-10-22(21)31-19-7-3-2-4-8-19/h2-14H,15H2,1H3,(H,26,28).
What are the key properties of 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(2-phenylsulfanylphenyl)-1,2-oxazole-3-carboxamide?
4-[(4-fluorophenoxy)methyl]-5-methyl-N-(2-phenylsulfanylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 434.49 g/mol, XLogP of 6.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenoxy)methyl]-5-methyl-N-(2-phenylsulfanylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19445270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).