(3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide

C14H16F3N3O3S — CID 95359193

IUPAC(3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1csc([C@@](O)(CC(=O)NCc2c(C)noc2C)C(F)(F)F)n1
InChIInChI=1S/C14H16F3N3O3S/c1-7-6-24-12(19-7)13(22,14(15,16)17)4-11(21)18-5-10-8(2)20-23-9(10)3/h6,22H,4-5H2,1-3H3,(H,18,21)/t13-/m0/s1
InChIKeyZWRUGZSMTRMHIC-ZDUSSCGKSA-N
MW363.36 g/mol
LogP2.51
Rot. Bonds5

About (3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide

(3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 95359193) has the molecular formula C14H16F3N3O3S and a molecular weight of 363.36 g/mol. Its IUPAC name is (3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name(3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID95359193
Molecular FormulaC14H16F3N3O3S
Molecular Weight363.36 g/mol
Exact Mass363.09
IUPAC Name(3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1csc([C@@](O)(CC(=O)NCc2c(C)noc2C)C(F)(F)F)n1
InChIInChI=1S/C14H16F3N3O3S/c1-7-6-24-12(19-7)13(22,14(15,16)17)4-11(21)18-5-10-8(2)20-23-9(10)3/h6,22H,4-5H2,1-3H3,(H,18,21)/t13-/m0/s1
InChIKeyZWRUGZSMTRMHIC-ZDUSSCGKSA-N
XLogP2.51
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide with MolForge

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Related Compounds

N-[(2-chlorophenyl)methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 47801553
4-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]butanoic acid
CID 119171134
(3R)-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 95148779
3-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]butanoic acid
CID 119221645
2-methyl-2-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]butanoic acid
CID 119199847
methyl 1-[[[(3R)-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]methyl]cyclopentane-1-carboxylate
CID 95784954
(3R)-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 95761924
4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 47802762
1-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]cyclopentane-1-carboxylic acid
CID 119176829
(3S)-N-(1-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 95203632
4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-phenylmethoxybutanamide
CID 51128862
4,4,4-trifluoro-3-hydroxy-N-(2-hydroxy-4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 47840722

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of (3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide (CID 95359193) is (3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for (3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for (3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide is Cc1csc([C@@](O)(CC(=O)NCc2c(C)noc2C)C(F)(F)F)n1.
What is the InChIKey of (3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is ZWRUGZSMTRMHIC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16F3N3O3S/c1-7-6-24-12(19-7)13(22,14(15,16)17)4-11(21)18-5-10-8(2)20-23-9(10)3/h6,22H,4-5H2,1-3H3,(H,18,21)/t13-/m0/s1.
What are the key properties of (3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
(3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 363.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 95359193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).