N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide

C13H14F3N3O3 — CID 138034889

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
SMILESCCC(NC(=O)c1conc1C(F)(F)F)c1c(C)noc1C
InChIInChI=1S/C13H14F3N3O3/c1-4-9(10-6(2)18-22-7(10)3)17-12(20)8-5-21-19-11(8)13(14,15)16/h5,9H,4H2,1-3H3,(H,17,20)
InChIKeyPQAXUFIWDUWYGS-UHFFFAOYSA-N
MW317.27 g/mol
LogP3.18
Rot. Bonds4

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide (PubChem CID 138034889) has the molecular formula C13H14F3N3O3 and a molecular weight of 317.27 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
PubChem CID138034889
Molecular FormulaC13H14F3N3O3
Molecular Weight317.27 g/mol
Exact Mass317.10
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
SMILESCCC(NC(=O)c1conc1C(F)(F)F)c1c(C)noc1C
InChIInChI=1S/C13H14F3N3O3/c1-4-9(10-6(2)18-22-7(10)3)17-12(20)8-5-21-19-11(8)13(14,15)16/h5,9H,4H2,1-3H3,(H,17,20)
InChIKeyPQAXUFIWDUWYGS-UHFFFAOYSA-N
XLogP3.18
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridine-4-carboxamide
CID 122158392
3-(2-aminopropan-2-yl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,2-oxazole-4-carboxamide
CID 138005395
N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-hydroxy-1,3-benzodioxole-5-carboxamide
CID 99626562
2-[[3-(trifluoromethyl)-1,2-oxazole-4-carbonyl]amino]acetic acid
CID 110834984
1-cyclopropyl-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methyl-4-oxopyridine-3-carboxamide
CID 164632326
2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-2-oxoethyl]benzoic acid
CID 120699128
N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 138053674
2-[4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoyl]-2-ethoxyphenoxy]acetic acid
CID 120699130
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methyl-1,2-oxazol-3-yl)butanamide
CID 132970595
N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methoxy-4-methyl-5-nitrobenzamide
CID 99829047
N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 99633921
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pentan-3-amine
CID 115896745

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide (CID 138034889) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide is CCC(NC(=O)c1conc1C(F)(F)F)c1c(C)noc1C.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is PQAXUFIWDUWYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3/c1-4-9(10-6(2)18-22-7(10)3)17-12(20)8-5-21-19-11(8)13(14,15)16/h5,9H,4H2,1-3H3,(H,17,20).
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 317.27 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 138034889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).