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

C15H19N3O2 — CID 104902976

IUPAC(2R)-2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C15H19N3O2/c1-10(2)7-13(16)15(19)18-12-5-3-11(4-6-12)14-8-17-9-20-14/h3-6,8-10,13H,7,16H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyCTKKFZJFLLVSJH-CYBMUJFWSA-N
MW273.34 g/mol
LogP2.65
Rot. Bonds5

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

(2R)-2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide (PubChem CID 104902976) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide
PubChem CID104902976
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(2R)-2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C15H19N3O2/c1-10(2)7-13(16)15(19)18-12-5-3-11(4-6-12)14-8-17-9-20-14/h3-6,8-10,13H,7,16H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyCTKKFZJFLLVSJH-CYBMUJFWSA-N
XLogP2.65
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide (CID 104902976) is (2R)-2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide is CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnco2)cc1.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide?
The InChIKey is CTKKFZJFLLVSJH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(2)7-13(16)15(19)18-12-5-3-11(4-6-12)14-8-17-9-20-14/h3-6,8-10,13H,7,16H2,1-2H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide?
(2R)-2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide has a molecular weight of 273.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide is sourced from PubChem (CID 104902976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).