N-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C25H25F3N2O3 — CID 30832396

IUPACN-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1
InChIInChI=1S/C25H25F3N2O3/c1-16-23(17(2)33-29-16)15-32-22-11-5-18(6-12-22)13-24(31)30(21-9-10-21)14-19-3-7-20(8-4-19)25(26,27)28/h3-8,11-12,21H,9-10,13-15H2,1-2H3
InChIKeyLAMUKVWKVIKNRO-UHFFFAOYSA-N
MW458.48 g/mol
LogP5.62
Rot. Bonds8

About N-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

N-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 30832396) has the molecular formula C25H25F3N2O3 and a molecular weight of 458.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID30832396
Molecular FormulaC25H25F3N2O3
Molecular Weight458.48 g/mol
Exact Mass458.18
IUPAC NameN-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1
InChIInChI=1S/C25H25F3N2O3/c1-16-23(17(2)33-29-16)15-32-22-11-5-18(6-12-22)13-24(31)30(21-9-10-21)14-19-3-7-20(8-4-19)25(26,27)28/h3-8,11-12,21H,9-10,13-15H2,1-2H3
InChIKeyLAMUKVWKVIKNRO-UHFFFAOYSA-N
XLogP5.62
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.48
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide with MolForge

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Related Compounds

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 26555263
N-cyclopropyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 31784558
N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
CID 27665797
N-cyclopentyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 9265218
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 9437481
N-cyclopropyl-4-[[cyclopropyl-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]benzamide
CID 33342953
N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 86907274
N-cyclopropyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 155768249
2-(4-acetamidophenyl)-N-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 31819420
N-(2,3-dimethylcyclohexyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 46539815
N-benzyl-N-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 46540368
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-ethyl-N-phenylacetamide
CID 43025463

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 30832396) is N-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is Cc1noc(C)c1COc1ccc(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is LAMUKVWKVIKNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O3/c1-16-23(17(2)33-29-16)15-32-22-11-5-18(6-12-22)13-24(31)30(21-9-10-21)14-19-3-7-20(8-4-19)25(26,27)28/h3-8,11-12,21H,9-10,13-15H2,1-2H3.
What are the key properties of N-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
N-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 458.48 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 30832396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).