4,4,4-trifluoro-2,3-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylbutanamide

C15H15F3N2O4 — CID 126830816

IUPAC4,4,4-trifluoro-2,3-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylbutanamide
SMILESCc1cc(CNC(=O)C(O)C(O)(c2ccccc2)C(F)(F)F)no1
InChIInChI=1S/C15H15F3N2O4/c1-9-7-11(20-24-9)8-19-13(22)12(21)14(23,15(16,17)18)10-5-3-2-4-6-10/h2-7,12,21,23H,8H2,1H3,(H,19,22)
InChIKeyDWXJFRDTVPKHKX-UHFFFAOYSA-N
MW344.29 g/mol
LogP1.41
Rot. Bonds5

About 4,4,4-trifluoro-2,3-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylbutanamide

4,4,4-trifluoro-2,3-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylbutanamide (PubChem CID 126830816) has the molecular formula C15H15F3N2O4 and a molecular weight of 344.29 g/mol. Its IUPAC name is 4,4,4-trifluoro-2,3-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-2,3-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylbutanamide
PubChem CID126830816
Molecular FormulaC15H15F3N2O4
Molecular Weight344.29 g/mol
Exact Mass344.10
IUPAC Name4,4,4-trifluoro-2,3-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylbutanamide
SMILESCc1cc(CNC(=O)C(O)C(O)(c2ccccc2)C(F)(F)F)no1
InChIInChI=1S/C15H15F3N2O4/c1-9-7-11(20-24-9)8-19-13(22)12(21)14(23,15(16,17)18)10-5-3-2-4-6-10/h2-7,12,21,23H,8H2,1H3,(H,19,22)
InChIKeyDWXJFRDTVPKHKX-UHFFFAOYSA-N
XLogP1.41
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4,4,4-trifluoro-2,3-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylbutanamide with MolForge

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Related Compounds

2-amino-3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 76923478
(2S)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)pentanamide
CID 126820543
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 51093356
(Z)-2,3-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]-4-oxobut-2-enoic acid
CID 55168124
1-[2,6-dichloro-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 130290213
1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylpropane-1,2-diamine
CID 55078352
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[[5-(2-phenylethyl)-1,2-oxazol-3-yl]methyl]butanamide
CID 164616667
3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 47728425
2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid
CID 113416559
(3R)-3-amino-4-(2-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 11551038
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea
CID 110747518
(2R)-2-ethylsulfanyl-3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 95170555

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2,3-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylbutanamide?
The IUPAC name of 4,4,4-trifluoro-2,3-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylbutanamide (CID 126830816) is 4,4,4-trifluoro-2,3-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-2,3-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-2,3-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylbutanamide is Cc1cc(CNC(=O)C(O)C(O)(c2ccccc2)C(F)(F)F)no1.
What is the InChIKey of 4,4,4-trifluoro-2,3-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylbutanamide?
The InChIKey is DWXJFRDTVPKHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O4/c1-9-7-11(20-24-9)8-19-13(22)12(21)14(23,15(16,17)18)10-5-3-2-4-6-10/h2-7,12,21,23H,8H2,1H3,(H,19,22).
What are the key properties of 4,4,4-trifluoro-2,3-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylbutanamide?
4,4,4-trifluoro-2,3-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylbutanamide has a molecular weight of 344.29 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2,3-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylbutanamide is sourced from PubChem (CID 126830816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).