(3S)-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 94831554

IUPAC(3S)-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-/m1/s1
InChIKeyZWRUGZSMTRMHIC-CYBMUJFWSA-N
MW363.36 g/mol
LogP2.51
Rot. Bonds5

About (3S)-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

(3S)-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 94831554) has the molecular formula C14H16F3N3O3S and a molecular weight of 363.36 g/mol. Its IUPAC name is (3S)-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(3S)-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 CID94831554
Molecular FormulaC14H16F3N3O3S
Molecular Weight363.36 g/mol
Exact Mass363.09
IUPAC Name(3S)-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-/m1/s1
InChIKeyZWRUGZSMTRMHIC-CYBMUJFWSA-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

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Frequently Asked Questions

What is the IUPAC name of (3S)-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 (3S)-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 94831554) is (3S)-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 (3S)-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 (3S)-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 (3S)-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-CYBMUJFWSA-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-/m1/s1.
What are the key properties of (3S)-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?
(3S)-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 (3S)-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 94831554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).