ethyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-ethylcarbamate

C19H19F3N2O4 — CID 22621038

IUPACethyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-ethylcarbamate
SMILESCCOC(=O)N(CC)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C19H19F3N2O4/c1-3-24(18(26)27-4-2)15-9-12(19(20,21)22)7-8-13(15)16(25)14-10-23-28-17(14)11-5-6-11/h7-11H,3-6H2,1-2H3
InChIKeyPGBZAYKNWMINIU-UHFFFAOYSA-N
MW396.37 g/mol
LogP4.78
Rot. Bonds6

About ethyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-ethylcarbamate

ethyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-ethylcarbamate (PubChem CID 22621038) has the molecular formula C19H19F3N2O4 and a molecular weight of 396.37 g/mol. Its IUPAC name is ethyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-ethylcarbamate.

Molecular Properties

Compound Nameethyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-ethylcarbamate
PubChem CID22621038
Molecular FormulaC19H19F3N2O4
Molecular Weight396.37 g/mol
Exact Mass396.13
IUPAC Nameethyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-ethylcarbamate
SMILESCCOC(=O)N(CC)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C19H19F3N2O4/c1-3-24(18(26)27-4-2)15-9-12(19(20,21)22)7-8-13(15)16(25)14-10-23-28-17(14)11-5-6-11/h7-11H,3-6H2,1-2H3
InChIKeyPGBZAYKNWMINIU-UHFFFAOYSA-N
XLogP4.78
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-ethylcarbamate?
The IUPAC name of ethyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-ethylcarbamate (CID 22621038) is ethyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-ethylcarbamate.
What is the SMILES notation for ethyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-ethylcarbamate?
The canonical SMILES for ethyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-ethylcarbamate is CCOC(=O)N(CC)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1.
What is the InChIKey of ethyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-ethylcarbamate?
The InChIKey is PGBZAYKNWMINIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4/c1-3-24(18(26)27-4-2)15-9-12(19(20,21)22)7-8-13(15)16(25)14-10-23-28-17(14)11-5-6-11/h7-11H,3-6H2,1-2H3.
What are the key properties of ethyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-ethylcarbamate?
ethyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-ethylcarbamate has a molecular weight of 396.37 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-ethylcarbamate is sourced from PubChem (CID 22621038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).