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

C18H21F3N4O4 — CID 4138130

IUPAC2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCCOCCCN(CC(=O)Nc1ccon1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H21F3N4O4/c1-2-28-9-4-8-25(12-16(26)23-15-7-10-29-24-15)17(27)22-14-6-3-5-13(11-14)18(19,20)21/h3,5-7,10-11H,2,4,8-9,12H2,1H3,(H,22,27)(H,23,24,26)
InChIKeyVATZMOLVEIAPCI-UHFFFAOYSA-N
MW414.38 g/mol
LogP3.59
Rot. Bonds9

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

2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 4138130) has the molecular formula C18H21F3N4O4 and a molecular weight of 414.38 g/mol. Its IUPAC name is 2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide
PubChem CID4138130
Molecular FormulaC18H21F3N4O4
Molecular Weight414.38 g/mol
Exact Mass414.15
IUPAC Name2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCCOCCCN(CC(=O)Nc1ccon1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H21F3N4O4/c1-2-28-9-4-8-25(12-16(26)23-15-7-10-29-24-15)17(27)22-14-6-3-5-13(11-14)18(19,20)21/h3,5-7,10-11H,2,4,8-9,12H2,1H3,(H,22,27)(H,23,24,26)
InChIKeyVATZMOLVEIAPCI-UHFFFAOYSA-N
XLogP3.59
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3637081
2-[(3,4-dimethylphenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42771761
2-[3-ethoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide
CID 4205625
2-[(3-chlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4129176
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]hexanamide
CID 4080850
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopentanecarboxamide
CID 42771710
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 3568028
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-phenylbenzamide
CID 4151736
2-[(2,3-dimethylphenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3561257
N-(3-ethoxypropyl)-4-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3649649
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 42771686
4-chloro-N-(3-ethoxypropyl)-3-nitro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3431758

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide (CID 4138130) is 2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide is CCOCCCN(CC(=O)Nc1ccon1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is VATZMOLVEIAPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O4/c1-2-28-9-4-8-25(12-16(26)23-15-7-10-29-24-15)17(27)22-14-6-3-5-13(11-14)18(19,20)21/h3,5-7,10-11H,2,4,8-9,12H2,1H3,(H,22,27)(H,23,24,26).
What are the key properties of 2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide?
2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 414.38 g/mol, XLogP of 3.59, 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-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 4138130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).