2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)-3-(trifluoromethoxy)phenyl]pentanamide

C16H18F3N3O3 — CID 121363401

IUPAC2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)-3-(trifluoromethoxy)phenyl]pentanamide
SMILESCC(C)CC(N)C(=O)Nc1ccc(-c2cnco2)c(OC(F)(F)F)c1
InChIInChI=1S/C16H18F3N3O3/c1-9(2)5-12(20)15(23)22-10-3-4-11(14-7-21-8-24-14)13(6-10)25-16(17,18)19/h3-4,6-9,12H,5,20H2,1-2H3,(H,22,23)
InChIKeyJZXLCFDFUQFLNI-UHFFFAOYSA-N
MW357.33 g/mol
LogP3.55
Rot. Bonds6

About 2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)-3-(trifluoromethoxy)phenyl]pentanamide

2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)-3-(trifluoromethoxy)phenyl]pentanamide (PubChem CID 121363401) has the molecular formula C16H18F3N3O3 and a molecular weight of 357.33 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)-3-(trifluoromethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)-3-(trifluoromethoxy)phenyl]pentanamide
PubChem CID121363401
Molecular FormulaC16H18F3N3O3
Molecular Weight357.33 g/mol
Exact Mass357.13
IUPAC Name2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)-3-(trifluoromethoxy)phenyl]pentanamide
SMILESCC(C)CC(N)C(=O)Nc1ccc(-c2cnco2)c(OC(F)(F)F)c1
InChIInChI=1S/C16H18F3N3O3/c1-9(2)5-12(20)15(23)22-10-3-4-11(14-7-21-8-24-14)13(6-10)25-16(17,18)19/h3-4,6-9,12H,5,20H2,1-2H3,(H,22,23)
InChIKeyJZXLCFDFUQFLNI-UHFFFAOYSA-N
XLogP3.55
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)-3-(trifluoromethoxy)phenyl]pentanamide?
The IUPAC name of 2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)-3-(trifluoromethoxy)phenyl]pentanamide (CID 121363401) is 2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)-3-(trifluoromethoxy)phenyl]pentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)-3-(trifluoromethoxy)phenyl]pentanamide?
The canonical SMILES for 2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)-3-(trifluoromethoxy)phenyl]pentanamide is CC(C)CC(N)C(=O)Nc1ccc(-c2cnco2)c(OC(F)(F)F)c1.
What is the InChIKey of 2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)-3-(trifluoromethoxy)phenyl]pentanamide?
The InChIKey is JZXLCFDFUQFLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3/c1-9(2)5-12(20)15(23)22-10-3-4-11(14-7-21-8-24-14)13(6-10)25-16(17,18)19/h3-4,6-9,12H,5,20H2,1-2H3,(H,22,23).
What are the key properties of 2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)-3-(trifluoromethoxy)phenyl]pentanamide?
2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)-3-(trifluoromethoxy)phenyl]pentanamide has a molecular weight of 357.33 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)-3-(trifluoromethoxy)phenyl]pentanamide is sourced from PubChem (CID 121363401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).