2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C19H23F3N4O4 — CID 3637081

IUPAC2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCOCCCN(CC(=O)Nc1cc(C)on1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H23F3N4O4/c1-3-29-9-5-8-26(12-17(27)24-16-10-13(2)30-25-16)18(28)23-15-7-4-6-14(11-15)19(20,21)22/h4,6-7,10-11H,3,5,8-9,12H2,1-2H3,(H,23,28)(H,24,25,27)
InChIKeySLKHPHSSFIHBKR-UHFFFAOYSA-N
MW428.41 g/mol
LogP3.90
Rot. Bonds9

About 2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 3637081) has the molecular formula C19H23F3N4O4 and a molecular weight of 428.41 g/mol. Its IUPAC name is 2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID3637081
Molecular FormulaC19H23F3N4O4
Molecular Weight428.41 g/mol
Exact Mass428.17
IUPAC Name2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCOCCCN(CC(=O)Nc1cc(C)on1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H23F3N4O4/c1-3-29-9-5-8-26(12-17(27)24-16-10-13(2)30-25-16)18(28)23-15-7-4-6-14(11-15)19(20,21)22/h4,6-7,10-11H,3,5,8-9,12H2,1-2H3,(H,23,28)(H,24,25,27)
InChIKeySLKHPHSSFIHBKR-UHFFFAOYSA-N
XLogP3.90
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)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-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide
CID 4138130
2-[(3-chlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4129176
2-[(2,3-dimethylphenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3561257
2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42770425
2-[(2,3-dichlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 5101637
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 109009780
1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 978129
2-[(3,4-dimethylphenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42771761
2-[3-methoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4165943
2-[3-ethoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide
CID 4205625
2-[(3-cyanophenyl)carbamoyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 814069
2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42770429

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 3637081) is 2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCOCCCN(CC(=O)Nc1cc(C)on1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is SLKHPHSSFIHBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O4/c1-3-29-9-5-8-26(12-17(27)24-16-10-13(2)30-25-16)18(28)23-15-7-4-6-14(11-15)19(20,21)22/h4,6-7,10-11H,3,5,8-9,12H2,1-2H3,(H,23,28)(H,24,25,27).
What are the key properties of 2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 428.41 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 3637081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).