5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2-oxazole-3-carboxamide

C16H18F3N3O4 — CID 129214844

IUPAC5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(CNC(=O)c1cc(COCC2=CCCC=C2)on1)NCC(F)(F)F
InChIInChI=1S/C16H18F3N3O4/c17-16(18,19)10-21-14(23)7-20-15(24)13-6-12(26-22-13)9-25-8-11-4-2-1-3-5-11/h2,4-6H,1,3,7-10H2,(H,20,24)(H,21,23)
InChIKeyUIJOTDBBSUDZNJ-UHFFFAOYSA-N
MW373.33 g/mol
LogP1.88
Rot. Bonds8

About 5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2-oxazole-3-carboxamide

5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 129214844) has the molecular formula C16H18F3N3O4 and a molecular weight of 373.33 g/mol. Its IUPAC name is 5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID129214844
Molecular FormulaC16H18F3N3O4
Molecular Weight373.33 g/mol
Exact Mass373.12
IUPAC Name5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(CNC(=O)c1cc(COCC2=CCCC=C2)on1)NCC(F)(F)F
InChIInChI=1S/C16H18F3N3O4/c17-16(18,19)10-21-14(23)7-20-15(24)13-6-12(26-22-13)9-25-8-11-4-2-1-3-5-11/h2,4-6H,1,3,7-10H2,(H,20,24)(H,21,23)
InChIKeyUIJOTDBBSUDZNJ-UHFFFAOYSA-N
XLogP1.88
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 24819331
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5-(methoxymethyl)-N-[2-(2-methylpropyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 75446716
N-[(1S)-1-cyclopropylethyl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 137993470
5-(methoxymethyl)-N-[(3S)-1-propanoylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 164631414
N-[(3R)-4,4-dimethyloxolan-3-yl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 164641962
N-(oxan-4-ylmethyl)-5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxamide
CID 76899929
N-(tetrahydrofuran-3-ylmethyl)-5-(2,5-difluorobenzyloxymethyl)isoxazole-3-carboxamide
CID 90325752
N-(tetrahydrofuran-3-ylmethyl)-5-(3,4,5-trifluorobenzyloxymethyl)isoxazole-3-carboxamide
CID 90325760
N-(oxolan-3-ylmethyl)-5-[(2,2,2-trifluoro-1-phenylethoxy)methyl]-1,2-oxazole-3-carboxamide
CID 90325836
N-(tetrahydrofuran-3-ylmethyl)-5-(3,4-difluorobenzyloxymethyl)isoxazole-3-carboxamide
CID 90325875
N-(oxolan-3-ylmethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90325944

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2-oxazole-3-carboxamide (CID 129214844) is 5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2-oxazole-3-carboxamide is O=C(CNC(=O)c1cc(COCC2=CCCC=C2)on1)NCC(F)(F)F.
What is the InChIKey of 5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is UIJOTDBBSUDZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O4/c17-16(18,19)10-21-14(23)7-20-15(24)13-6-12(26-22-13)9-25-8-11-4-2-1-3-5-11/h2,4-6H,1,3,7-10H2,(H,20,24)(H,21,23).
What are the key properties of 5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2-oxazole-3-carboxamide?
5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 373.33 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 129214844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).