3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazole-5-carboxamide

C26H22F2N2O3 — CID 147298380

IUPAC3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCc1ccc(C2=NOC(C)(C(N)=O)C2)cc1-c1ccc(CC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C26H22F2N2O3/c1-15-6-9-18(22-14-26(2,25(29)32)33-30-22)13-19(15)17-10-7-16(8-11-17)12-23(31)24-20(27)4-3-5-21(24)28/h3-11,13H,12,14H2,1-2H3,(H2,29,32)
InChIKeyCVOPFUVXGNRHBR-UHFFFAOYSA-N
MW448.47 g/mol
LogP4.73
Rot. Bonds6

About 3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazole-5-carboxamide

3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 147298380) has the molecular formula C26H22F2N2O3 and a molecular weight of 448.47 g/mol. Its IUPAC name is 3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
PubChem CID147298380
Molecular FormulaC26H22F2N2O3
Molecular Weight448.47 g/mol
Exact Mass448.16
IUPAC Name3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCc1ccc(C2=NOC(C)(C(N)=O)C2)cc1-c1ccc(CC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C26H22F2N2O3/c1-15-6-9-18(22-14-26(2,25(29)32)33-30-22)13-19(15)17-10-7-16(8-11-17)12-23(31)24-20(27)4-3-5-21(24)28/h3-11,13H,12,14H2,1-2H3,(H2,29,32)
InChIKeyCVOPFUVXGNRHBR-UHFFFAOYSA-N
XLogP4.73
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-fluoro-4-methylphenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)phenyl]-3-methylbutan-1-one
CID 58096042
2-[3-[3-(4-fluorophenyl)butanoyl]-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)phenyl]benzonitrile
CID 58096069
1-[3-(2-Fluoro-4-methylphenyl)-5-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)phenyl]-3-methylbutan-1-one
CID 58096198
4-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide
CID 126746834
4-(5,5-Dimethyl-4-oxo-1,2-oxazol-3-yl)-2,6-difluoro-3-[4-(2-methylphenyl)phenyl]benzamide
CID 140615787
3-[4-[5-(5,5-Dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]-2,6-difluorobenzamide
CID 142715004
3-[3-[4-[2-(2,6-Difluorophenyl)-2-oxoethyl]phenyl]-2-methylphenyl]-5,5-dimethyl-1,2-oxazol-4-one
CID 148430082
3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide
CID 148763116
1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-[5-methyl-5-(4-methylpiperazine-1-carbonyl)-4H-1,2-oxazol-3-yl]phenyl]phenyl]ethanone
CID 153007207
3-[4-[4-[2-(2,6-Difluorophenyl)-2-oxoethyl]phenyl]-3-methylphenyl]-5,5-dimethyl-1,2-oxazol-4-one
CID 158822746
3-(4-fluorophenyl)-2',3'-dimethyl-4-phenylspiro[4H-1,2-oxazole-5,6'-8,9-dihydro-7H-benzo[7]annulene]-5'-one
CID 16103938
3,4-bis(4-fluorophenyl)-3'-methylspiro[4H-1,2-oxazole-5,6'-8,9-dihydro-7H-benzo[7]annulene]-5'-one
CID 16104371

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazole-5-carboxamide (CID 147298380) is 3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazole-5-carboxamide is Cc1ccc(C2=NOC(C)(C(N)=O)C2)cc1-c1ccc(CC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is CVOPFUVXGNRHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N2O3/c1-15-6-9-18(22-14-26(2,25(29)32)33-30-22)13-19(15)17-10-7-16(8-11-17)12-23(31)24-20(27)4-3-5-21(24)28/h3-11,13H,12,14H2,1-2H3,(H2,29,32).
What are the key properties of 3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazole-5-carboxamide?
3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 448.47 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 147298380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).