N-(3-methylbutyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide

C10H13F3N2O2 — CID 54291087

IUPACN-(3-methylbutyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide
SMILESCC(C)CCNC(=O)c1cnoc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c1-6(2)3-4-14-9(16)7-5-15-17-8(7)10(11,12)13/h5-6H,3-4H2,1-2H3,(H,14,16)
InChIKeyRXOGURBNCWBPLO-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.47
Rot. Bonds4

About N-(3-methylbutyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide

N-(3-methylbutyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide (PubChem CID 54291087) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is N-(3-methylbutyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide
PubChem CID54291087
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC NameN-(3-methylbutyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide
SMILESCC(C)CCNC(=O)c1cnoc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c1-6(2)3-4-14-9(16)7-5-15-17-8(7)10(11,12)13/h5-6H,3-4H2,1-2H3,(H,14,16)
InChIKeyRXOGURBNCWBPLO-UHFFFAOYSA-N
XLogP2.47
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-5-methyl-1,2-oxazole-4-carboxamide
CID 3358009
Nerbacadol
CID 65865
N-isopropyl-5-methyl-4-isoxazolecarboxamide
CID 1477707
3,7-Diazabicyclo[3.3.1]nonan-3-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 59268934
2-[(5-Methyl-1,2-oxazol-4-yl)formamido]propanoic acid
CID 16771058
1-(5-Methyl-1,2-oxazole-4-carbonyl)piperazine hydrochloride
CID 45791716
5-methyl-N-(piperidin-4-yl)-1,2-oxazole-4-carboxamide hydrochloride
CID 47002718
5-methyl-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-4-carboxamide
CID 154721744
5-methyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide
CID 10288736
N-(5-Trifluoromethyl-4-isoxazolylcarbonyl)-piperidine
CID 13557180
N-(2-fluoroethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 53757803
5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide
CID 53905793

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide (CID 54291087) is N-(3-methylbutyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide is CC(C)CCNC(=O)c1cnoc1C(F)(F)F.
What is the InChIKey of N-(3-methylbutyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is RXOGURBNCWBPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-6(2)3-4-14-9(16)7-5-15-17-8(7)10(11,12)13/h5-6H,3-4H2,1-2H3,(H,14,16).
What are the key properties of N-(3-methylbutyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
N-(3-methylbutyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 250.22 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 54291087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).