N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C11H13F3N2O3 — CID 138034726

IUPACN-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCC1(CNC(=O)c2ncoc2C(F)(F)F)CCCO1
InChIInChI=1S/C11H13F3N2O3/c1-10(3-2-4-19-10)5-15-9(17)7-8(11(12,13)14)18-6-16-7/h6H,2-5H2,1H3,(H,15,17)
InChIKeyCFKRELNBQJDVJR-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.99
Rot. Bonds3

About N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 138034726) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID138034726
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC NameN-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCC1(CNC(=O)c2ncoc2C(F)(F)F)CCCO1
InChIInChI=1S/C11H13F3N2O3/c1-10(3-2-4-19-10)5-15-9(17)7-8(11(12,13)14)18-6-16-7/h6H,2-5H2,1H3,(H,15,17)
InChIKeyCFKRELNBQJDVJR-UHFFFAOYSA-N
XLogP1.99
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylsulfonylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 138035460
5-(ethylamino)-N-[(2-methyloxolan-2-yl)methyl]pyridine-2-carboxamide
CID 104641788
4-(ethylamino)-6-methyl-N-[(2-methyloxolan-2-yl)methyl]pyridine-3-carboxamide
CID 81245640
2,6-dichloro-N-[(2-methyloxolan-2-yl)methyl]pyridine-3-carboxamide
CID 103747169
6-amino-N-[(2-methyloxolan-2-yl)methyl]pyrazine-2-carboxamide
CID 114036007
N-[(2-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 138036074
1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-[(2-methyloxan-2-yl)methyl]urea
CID 138025214
N-[(2-methyloxolan-2-yl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
CID 110090364
3-(4-fluorophenyl)-N-[(2-methyloxolan-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 171925666
1-(2-fluorophenyl)-4-hydroxy-N-[(2-methyloxolan-2-yl)methyl]pyrazole-3-carboxamide
CID 126786836
5-bromo-2-hydroxy-N-[(2-methyloxolan-2-yl)methyl]benzamide
CID 103747166
N-[4-[(2-methyloxolan-2-yl)methylcarbamoyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 71573238

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 138034726) is N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is CC1(CNC(=O)c2ncoc2C(F)(F)F)CCCO1.
What is the InChIKey of N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is CFKRELNBQJDVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-10(3-2-4-19-10)5-15-9(17)7-8(11(12,13)14)18-6-16-7/h6H,2-5H2,1H3,(H,15,17).
What are the key properties of N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 278.23 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138034726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).