4-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide

C21H19F3N2O3 — CID 38936760

IUPAC4-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide
SMILESO=C(CCCc1ncc(-c2ccccc2)o1)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C21H19F3N2O3/c22-21(23,24)14-28-17-11-9-16(10-12-17)26-19(27)7-4-8-20-25-13-18(29-20)15-5-2-1-3-6-15/h1-3,5-6,9-13H,4,7-8,14H2,(H,26,27)
InChIKeyFWIHQBNZPLALRU-UHFFFAOYSA-N
MW404.39 g/mol
LogP5.24
Rot. Bonds8

About 4-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide

4-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide (PubChem CID 38936760) has the molecular formula C21H19F3N2O3 and a molecular weight of 404.39 g/mol. Its IUPAC name is 4-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide
PubChem CID38936760
Molecular FormulaC21H19F3N2O3
Molecular Weight404.39 g/mol
Exact Mass404.13
IUPAC Name4-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide
SMILESO=C(CCCc1ncc(-c2ccccc2)o1)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C21H19F3N2O3/c22-21(23,24)14-28-17-11-9-16(10-12-17)26-19(27)7-4-8-20-25-13-18(29-20)15-5-2-1-3-6-15/h1-3,5-6,9-13H,4,7-8,14H2,(H,26,27)
InChIKeyFWIHQBNZPLALRU-UHFFFAOYSA-N
XLogP5.24
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.39
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502
methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate
CID 38886699
N-[4-(difluoromethoxy)phenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55487102
3-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 38937435
2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide
CID 41355513
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 33373655
N-(4-fluoro-2-methoxyphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 86986097
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 55965551
N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 51958873
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38937830
N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38937340
N-(2-hydroxypropyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 78873748

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide?
The IUPAC name of 4-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide (CID 38936760) is 4-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide.
What is the SMILES notation for 4-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide?
The canonical SMILES for 4-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide is O=C(CCCc1ncc(-c2ccccc2)o1)Nc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 4-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide?
The InChIKey is FWIHQBNZPLALRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O3/c22-21(23,24)14-28-17-11-9-16(10-12-17)26-19(27)7-4-8-20-25-13-18(29-20)15-5-2-1-3-6-15/h1-3,5-6,9-13H,4,7-8,14H2,(H,26,27).
What are the key properties of 4-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide?
4-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide has a molecular weight of 404.39 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide is sourced from PubChem (CID 38936760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).