3-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide

C14H13F3N2O2 — CID 175790575

IUPAC3-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide
SMILESCC(CC(N)=O)c1cc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C14H13F3N2O2/c1-8(5-13(18)20)12-7-11(19-21-12)9-3-2-4-10(6-9)14(15,16)17/h2-4,6-8H,5H2,1H3,(H2,18,20)
InChIKeyNBLYKVLLQZLLER-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.34
Rot. Bonds4

About 3-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide

3-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide (PubChem CID 175790575) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 3-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide.

Molecular Properties

Compound Name3-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide
PubChem CID175790575
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name3-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide
SMILESCC(CC(N)=O)c1cc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C14H13F3N2O2/c1-8(5-13(18)20)12-7-11(19-21-12)9-3-2-4-10(6-9)14(15,16)17/h2-4,6-8H,5H2,1H3,(H2,18,20)
InChIKeyNBLYKVLLQZLLER-UHFFFAOYSA-N
XLogP3.34
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-1-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]prop-2-en-1-one
CID 2745740
N-methyl-1-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115079251
2-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]acetic acid
CID 3492218
3-[3,5-bis(trifluoromethyl)phenyl]butanamide
CID 173252522
(3R)-3-[3,5-bis(trifluoromethyl)phenyl]butanamide
CID 87395828
2-methyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 94301681
2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propan-1-one
CID 70930857
4-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 163816150
(2R)-2-methyl-N-[(1S)-2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]butanediamide
CID 124849209
(2R)-2-[[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanamide
CID 70707331
3-amino-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119708092
N-(1-aminopropan-2-yl)-N,3-dimethyl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119582702

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide?
The IUPAC name of 3-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide (CID 175790575) is 3-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide.
What is the SMILES notation for 3-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide?
The canonical SMILES for 3-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide is CC(CC(N)=O)c1cc(-c2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of 3-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide?
The InChIKey is NBLYKVLLQZLLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-8(5-13(18)20)12-7-11(19-21-12)9-3-2-4-10(6-9)14(15,16)17/h2-4,6-8H,5H2,1H3,(H2,18,20).
What are the key properties of 3-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide?
3-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide has a molecular weight of 298.26 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide is sourced from PubChem (CID 175790575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).