N-(oxolan-3-ylmethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxamide

C12H15F3N2O4 — CID 90325944

IUPACN-(oxolan-3-ylmethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1cc(COCC(F)(F)F)on1
InChIInChI=1S/C12H15F3N2O4/c13-12(14,15)7-20-6-9-3-10(17-21-9)11(18)16-4-8-1-2-19-5-8/h3,8H,1-2,4-7H2,(H,16,18)
InChIKeyCARMLWVMOZRLAI-UHFFFAOYSA-N
MW308.26 g/mol
LogP1.52
Rot. Bonds6

About N-(oxolan-3-ylmethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxamide

N-(oxolan-3-ylmethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 90325944) has the molecular formula C12H15F3N2O4 and a molecular weight of 308.26 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID90325944
Molecular FormulaC12H15F3N2O4
Molecular Weight308.26 g/mol
Exact Mass308.10
IUPAC NameN-(oxolan-3-ylmethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1cc(COCC(F)(F)F)on1
InChIInChI=1S/C12H15F3N2O4/c13-12(14,15)7-20-6-9-3-10(17-21-9)11(18)16-4-8-1-2-19-5-8/h3,8H,1-2,4-7H2,(H,16,18)
InChIKeyCARMLWVMOZRLAI-UHFFFAOYSA-N
XLogP1.52
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methoxymethyl)-N-[2-(2-methylpropyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 75446716
5-(methoxymethyl)-N-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2,2,4,4-tetramethylcyclobutyl]-1,2-oxazole-3-carboxamide
CID 75534327
5-methyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-3-carboxamide
CID 94598736
Methyl 3-(cycloheptylcarbamoyl)-1,2-oxazole-5-carboxylate
CID 121560384
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-(tetrahydrofuran-3-ylmethyl)-5-(3,4,5-trifluorobenzyloxymethyl)isoxazole-3-carboxamide
CID 90325760
5-[(3,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90326155
N-(2,2-difluoroethyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 123189604
5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 129214844
4-(fluoromethyl)-5-(methoxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 132028108

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxamide (CID 90325944) is N-(oxolan-3-ylmethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxamide is O=C(NCC1CCOC1)c1cc(COCC(F)(F)F)on1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is CARMLWVMOZRLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O4/c13-12(14,15)7-20-6-9-3-10(17-21-9)11(18)16-4-8-1-2-19-5-8/h3,8H,1-2,4-7H2,(H,16,18).
What are the key properties of N-(oxolan-3-ylmethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxamide?
N-(oxolan-3-ylmethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 308.26 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90325944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).