N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide

C22H21FN2O4 — CID 38906083

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
SMILESCC(C)(C)c1cc(NC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)on1
InChIInChI=1S/C22H21FN2O4/c1-22(2,3)18-12-20(29-25-18)24-19(26)13-28-17-10-6-15(7-11-17)21(27)14-4-8-16(23)9-5-14/h4-12H,13H2,1-3H3,(H,24,26)
InChIKeyACZSCQAQMVRUNM-UHFFFAOYSA-N
MW396.42 g/mol
LogP4.36
Rot. Bonds6

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide (PubChem CID 38906083) has the molecular formula C22H21FN2O4 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
PubChem CID38906083
Molecular FormulaC22H21FN2O4
Molecular Weight396.42 g/mol
Exact Mass396.15
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
SMILESCC(C)(C)c1cc(NC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)on1
InChIInChI=1S/C22H21FN2O4/c1-22(2,3)18-12-20(29-25-18)24-19(26)13-28-17-10-6-15(7-11-17)21(27)14-4-8-16(23)9-5-14/h4-12H,13H2,1-3H3,(H,24,26)
InChIKeyACZSCQAQMVRUNM-UHFFFAOYSA-N
XLogP4.36
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-benzoylphenoxy)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 38903544
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7630632
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2-(4-ethoxyphenyl)acetate
CID 18227468
(2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid
CID 104875003
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide
CID 115589865
2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 46685975
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 7603982
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-prop-2-enoxyphenyl)acetamide
CID 59420462
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8695068
2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide
CID 17013529
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide
CID 7382360
2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-hydroxyphenyl)acetamide
CID 38906195

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide (CID 38906083) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide is CC(C)(C)c1cc(NC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)on1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide?
The InChIKey is ACZSCQAQMVRUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4/c1-22(2,3)18-12-20(29-25-18)24-19(26)13-28-17-10-6-15(7-11-17)21(27)14-4-8-16(23)9-5-14/h4-12H,13H2,1-3H3,(H,24,26).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide has a molecular weight of 396.42 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide is sourced from PubChem (CID 38906083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).