4-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C23H22F3N3O4 — CID 30822172

IUPAC4-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)cc1
InChIInChI=1S/C23H22F3N3O4/c1-14-20(15(2)33-29-14)12-32-19-9-3-16(4-10-19)11-21(30)28-18-7-5-17(6-8-18)22(31)27-13-23(24,25)26/h3-10H,11-13H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyFWZXDCLRGUDWPG-UHFFFAOYSA-N
MW461.44 g/mol
LogP4.34
Rot. Bonds8

About 4-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

4-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 30822172) has the molecular formula C23H22F3N3O4 and a molecular weight of 461.44 g/mol. Its IUPAC name is 4-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID30822172
Molecular FormulaC23H22F3N3O4
Molecular Weight461.44 g/mol
Exact Mass461.16
IUPAC Name4-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)cc1
InChIInChI=1S/C23H22F3N3O4/c1-14-20(15(2)33-29-14)12-32-19-9-3-16(4-10-19)11-21(30)28-18-7-5-17(6-8-18)22(31)27-13-23(24,25)26/h3-10H,11-13H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyFWZXDCLRGUDWPG-UHFFFAOYSA-N
XLogP4.34
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.44
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide with MolForge

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 7535370
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 27650114
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(3,5-dimethylphenyl)acetamide
CID 7961030
N-(3,4-dichlorophenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 26085736
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 30102866
N-tert-butyl-4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 46539748
N-(3,5-dimethoxyphenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 7960814
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-prop-2-enylacetamide
CID 26641405
methyl 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 34754685
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 7971440
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111448110
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methoxyacetamide
CID 30796971

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 30822172) is 4-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is FWZXDCLRGUDWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O4/c1-14-20(15(2)33-29-14)12-32-19-9-3-16(4-10-19)11-21(30)28-18-7-5-17(6-8-18)22(31)27-13-23(24,25)26/h3-10H,11-13H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 4-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
4-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 461.44 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 30822172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).