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

C20H17FN2O4 — CID 19445305

IUPACN-(4-acetylphenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2noc(C)c2COc2ccc(F)cc2)cc1
InChIInChI=1S/C20H17FN2O4/c1-12(24)14-3-7-16(8-4-14)22-20(25)19-18(13(2)27-23-19)11-26-17-9-5-15(21)6-10-17/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyCOKMHTJROGMAMC-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.16
Rot. Bonds6

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

N-(4-acetylphenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19445305) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19445305
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC NameN-(4-acetylphenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2noc(C)c2COc2ccc(F)cc2)cc1
InChIInChI=1S/C20H17FN2O4/c1-12(24)14-3-7-16(8-4-14)22-20(25)19-18(13(2)27-23-19)11-26-17-9-5-15(21)6-10-17/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyCOKMHTJROGMAMC-UHFFFAOYSA-N
XLogP4.16
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.16
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-(4-acetylphenyl)-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445000
N-(4-acetylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488246
N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445238
4-[(4-fluorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445267
4-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443709
4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxamide
CID 19445250
N-(3,4-difluorophenyl)-4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444531
N-(5-chloro-2-pyridinyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445278
4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide
CID 19443211
4-[(3,5-dimethylphenoxy)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444313
N-butan-2-yl-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445363

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19445305) is N-(4-acetylphenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is CC(=O)c1ccc(NC(=O)c2noc(C)c2COc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is COKMHTJROGMAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-12(24)14-3-7-16(8-4-14)22-20(25)19-18(13(2)27-23-19)11-26-17-9-5-15(21)6-10-17/h3-10H,11H2,1-2H3,(H,22,25).
What are the key properties of N-(4-acetylphenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-(4-acetylphenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19445305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).