N-[2-(4-tert-butyl-3-fluoroanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]-3-oxo-1,2-oxazole-5-carboxamide

C24H26FN3O5 — CID 129055257

IUPACN-[2-(4-tert-butyl-3-fluoroanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]-3-oxo-1,2-oxazole-5-carboxamide
SMILESCOCc1ccc(C(NC(=O)c2cc(=O)[nH]o2)C(=O)Nc2ccc(C(C)(C)C)c(F)c2)cc1
InChIInChI=1S/C24H26FN3O5/c1-24(2,3)17-10-9-16(11-18(17)25)26-23(31)21(15-7-5-14(6-8-15)13-32-4)27-22(30)19-12-20(29)28-33-19/h5-12,21H,13H2,1-4H3,(H,26,31)(H,27,30)(H,28,29)
InChIKeyRUMMLEMHFYQBNA-UHFFFAOYSA-N
MW455.49 g/mol
LogP3.66
Rot. Bonds7

About N-[2-(4-tert-butyl-3-fluoroanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]-3-oxo-1,2-oxazole-5-carboxamide

N-[2-(4-tert-butyl-3-fluoroanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]-3-oxo-1,2-oxazole-5-carboxamide (PubChem CID 129055257) has the molecular formula C24H26FN3O5 and a molecular weight of 455.49 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-3-fluoroanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]-3-oxo-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-3-fluoroanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]-3-oxo-1,2-oxazole-5-carboxamide
PubChem CID129055257
Molecular FormulaC24H26FN3O5
Molecular Weight455.49 g/mol
Exact Mass455.19
IUPAC NameN-[2-(4-tert-butyl-3-fluoroanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]-3-oxo-1,2-oxazole-5-carboxamide
SMILESCOCc1ccc(C(NC(=O)c2cc(=O)[nH]o2)C(=O)Nc2ccc(C(C)(C)C)c(F)c2)cc1
InChIInChI=1S/C24H26FN3O5/c1-24(2,3)17-10-9-16(11-18(17)25)26-23(31)21(15-7-5-14(6-8-15)13-32-4)27-22(30)19-12-20(29)28-33-19/h5-12,21H,13H2,1-4H3,(H,26,31)(H,27,30)(H,28,29)
InChIKeyRUMMLEMHFYQBNA-UHFFFAOYSA-N
XLogP3.66
TPSA113.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-tert-butyl-3-fluorophenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(3-oxo-1,2-oxazol-5-yl)acetyl]amino]acetamide
CID 121316746
N-(4-tert-butyl-3-fluorophenyl)-2-[4-(methoxymethyl)phenyl]acetamide
CID 175900031
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 140781371
N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(6-oxopyrimidin-1-yl)acetyl]amino]acetamide
CID 140781164
N-[2-[3-fluoro-4-(trimethyl-λ4-sulfanyl)anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
CID 156566353
2-amino-N-(4-tert-butyl-3,5-difluorophenyl)-2-[4-(methoxymethyl)phenyl]acetamide
CID 121316684
N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
CID 140781121
(4-nitrophenyl) N-[(1R)-2-(3-fluoro-4-trimethylsilylanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]carbamate
CID 140781462
N-[1-[4-(3-methoxypropoxymethyl)phenyl]-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
CID 140781375
(2R)-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]acetamide
CID 140781260
N-[3-(3-chloro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 159677319
N-[1-[4-(2,2-difluoroethoxymethyl)phenyl]-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
CID 140781189

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-3-fluoroanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]-3-oxo-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(4-tert-butyl-3-fluoroanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]-3-oxo-1,2-oxazole-5-carboxamide (CID 129055257) is N-[2-(4-tert-butyl-3-fluoroanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]-3-oxo-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butyl-3-fluoroanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]-3-oxo-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(4-tert-butyl-3-fluoroanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]-3-oxo-1,2-oxazole-5-carboxamide is COCc1ccc(C(NC(=O)c2cc(=O)[nH]o2)C(=O)Nc2ccc(C(C)(C)C)c(F)c2)cc1.
What is the InChIKey of N-[2-(4-tert-butyl-3-fluoroanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]-3-oxo-1,2-oxazole-5-carboxamide?
The InChIKey is RUMMLEMHFYQBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O5/c1-24(2,3)17-10-9-16(11-18(17)25)26-23(31)21(15-7-5-14(6-8-15)13-32-4)27-22(30)19-12-20(29)28-33-19/h5-12,21H,13H2,1-4H3,(H,26,31)(H,27,30)(H,28,29).
What are the key properties of N-[2-(4-tert-butyl-3-fluoroanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]-3-oxo-1,2-oxazole-5-carboxamide?
N-[2-(4-tert-butyl-3-fluoroanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]-3-oxo-1,2-oxazole-5-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 3.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-3-fluoroanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]-3-oxo-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 129055257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).