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

C17H19F3N2O2 — CID 100757725

IUPAC(2R)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ncc(C)o1
InChIInChI=1S/C17H19F3N2O2/c1-3-13(16(23)22-10-15-21-9-11(2)24-15)8-12-4-6-14(7-5-12)17(18,19)20/h4-7,9,13H,3,8,10H2,1-2H3,(H,22,23)/t13-/m1/s1
InChIKeyDGTHKCYUPHLKCF-CYBMUJFWSA-N
MW340.35 g/mol
LogP3.89
Rot. Bonds6

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

(2R)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 100757725) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is (2R)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name(2R)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID100757725
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name(2R)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ncc(C)o1
InChIInChI=1S/C17H19F3N2O2/c1-3-13(16(23)22-10-15-21-9-11(2)24-15)8-12-4-6-14(7-5-12)17(18,19)20/h4-7,9,13H,3,8,10H2,1-2H3,(H,22,23)/t13-/m1/s1
InChIKeyDGTHKCYUPHLKCF-CYBMUJFWSA-N
XLogP3.89
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of (2R)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide (CID 100757725) is (2R)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for (2R)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for (2R)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide is CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ncc(C)o1.
What is the InChIKey of (2R)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is DGTHKCYUPHLKCF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-3-13(16(23)22-10-15-21-9-11(2)24-15)8-12-4-6-14(7-5-12)17(18,19)20/h4-7,9,13H,3,8,10H2,1-2H3,(H,22,23)/t13-/m1/s1.
What are the key properties of (2R)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
(2R)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 340.35 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 100757725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).