(2R)-N-(4-tert-butyl-3-fluorophenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(3-oxo-1,2-oxazol-5-yl)acetyl]amino]acetamide

C25H28FN3O5 — CID 121316746

IUPAC(2R)-N-(4-tert-butyl-3-fluorophenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(3-oxo-1,2-oxazol-5-yl)acetyl]amino]acetamide
SMILESCOCc1ccc([C@@H](NC(=O)Cc2cc(=O)[nH]o2)C(=O)Nc2ccc(C(C)(C)C)c(F)c2)cc1
InChIInChI=1S/C25H28FN3O5/c1-25(2,3)19-10-9-17(11-20(19)26)27-24(32)23(16-7-5-15(6-8-16)14-33-4)28-21(30)12-18-13-22(31)29-34-18/h5-11,13,23H,12,14H2,1-4H3,(H,27,32)(H,28,30)(H,29,31)/t23-/m1/s1
InChIKeyPHTCTEQRDYXGMC-HSZRJFAPSA-N
MW469.51 g/mol
LogP3.59
Rot. Bonds8

About (2R)-N-(4-tert-butyl-3-fluorophenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(3-oxo-1,2-oxazol-5-yl)acetyl]amino]acetamide

(2R)-N-(4-tert-butyl-3-fluorophenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(3-oxo-1,2-oxazol-5-yl)acetyl]amino]acetamide (PubChem CID 121316746) has the molecular formula C25H28FN3O5 and a molecular weight of 469.51 g/mol. Its IUPAC name is (2R)-N-(4-tert-butyl-3-fluorophenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(3-oxo-1,2-oxazol-5-yl)acetyl]amino]acetamide.

Molecular Properties

Compound Name(2R)-N-(4-tert-butyl-3-fluorophenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(3-oxo-1,2-oxazol-5-yl)acetyl]amino]acetamide
PubChem CID121316746
Molecular FormulaC25H28FN3O5
Molecular Weight469.51 g/mol
Exact Mass469.20
IUPAC Name(2R)-N-(4-tert-butyl-3-fluorophenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(3-oxo-1,2-oxazol-5-yl)acetyl]amino]acetamide
SMILESCOCc1ccc([C@@H](NC(=O)Cc2cc(=O)[nH]o2)C(=O)Nc2ccc(C(C)(C)C)c(F)c2)cc1
InChIInChI=1S/C25H28FN3O5/c1-25(2,3)19-10-9-17(11-20(19)26)27-24(32)23(16-7-5-15(6-8-16)14-33-4)28-21(30)12-18-13-22(31)29-34-18/h5-11,13,23H,12,14H2,1-4H3,(H,27,32)(H,28,30)(H,29,31)/t23-/m1/s1
InChIKeyPHTCTEQRDYXGMC-HSZRJFAPSA-N
XLogP3.59
TPSA113.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-tert-butyl-3-fluoroanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 129055257
N-(4-tert-butyl-3-fluorophenyl)-2-[4-(methoxymethyl)phenyl]acetamide
CID 175900031
N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(6-oxopyrimidin-1-yl)acetyl]amino]acetamide
CID 140781164
(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
(1R)-N-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[2-(3-oxo-1,2-oxazol-5-yl)acetyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 121316298
(4-nitrophenyl) N-[(1R)-2-(3-fluoro-4-trimethylsilylanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]carbamate
CID 140781462
2-amino-N-(4-tert-butyl-3,5-difluorophenyl)-2-[4-(methoxymethyl)phenyl]acetamide
CID 121316684
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
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 140781371
N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
CID 140781121
2-[4-(methoxymethyl)anilino]-N-propan-2-ylacetamide
CID 114253086
2-(1-methylindazol-5-yl)-2-[[2-(3-oxo-1,2-oxazol-5-yl)acetyl]amino]acetamide
CID 175977040

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-tert-butyl-3-fluorophenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(3-oxo-1,2-oxazol-5-yl)acetyl]amino]acetamide?
The IUPAC name of (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) is (2R)-N-(4-tert-butyl-3-fluorophenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(3-oxo-1,2-oxazol-5-yl)acetyl]amino]acetamide.
What is the SMILES notation for (2R)-N-(4-tert-butyl-3-fluorophenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(3-oxo-1,2-oxazol-5-yl)acetyl]amino]acetamide?
The canonical SMILES for (2R)-N-(4-tert-butyl-3-fluorophenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(3-oxo-1,2-oxazol-5-yl)acetyl]amino]acetamide is COCc1ccc([C@@H](NC(=O)Cc2cc(=O)[nH]o2)C(=O)Nc2ccc(C(C)(C)C)c(F)c2)cc1.
What is the InChIKey of (2R)-N-(4-tert-butyl-3-fluorophenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(3-oxo-1,2-oxazol-5-yl)acetyl]amino]acetamide?
The InChIKey is PHTCTEQRDYXGMC-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H28FN3O5/c1-25(2,3)19-10-9-17(11-20(19)26)27-24(32)23(16-7-5-15(6-8-16)14-33-4)28-21(30)12-18-13-22(31)29-34-18/h5-11,13,23H,12,14H2,1-4H3,(H,27,32)(H,28,30)(H,29,31)/t23-/m1/s1.
What are the key properties of (2R)-N-(4-tert-butyl-3-fluorophenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(3-oxo-1,2-oxazol-5-yl)acetyl]amino]acetamide?
(2R)-N-(4-tert-butyl-3-fluorophenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(3-oxo-1,2-oxazol-5-yl)acetyl]amino]acetamide has a molecular weight of 469.51 g/mol, XLogP of 3.59, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-tert-butyl-3-fluorophenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(3-oxo-1,2-oxazol-5-yl)acetyl]amino]acetamide is sourced from PubChem (CID 121316746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).