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

C16H21N3O2 — CID 104683963

IUPAC5-amino-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pentanamide
SMILESCc1nc(-c2ccc(NC(=O)C(C)CCCN)cc2)co1
InChIInChI=1S/C16H21N3O2/c1-11(4-3-9-17)16(20)19-14-7-5-13(6-8-14)15-10-21-12(2)18-15/h5-8,10-11H,3-4,9,17H2,1-2H3,(H,19,20)
InChIKeyDGQFAGLKMOBQTL-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.96
Rot. Bonds6

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

5-amino-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pentanamide (PubChem CID 104683963) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pentanamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pentanamide
PubChem CID104683963
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-amino-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pentanamide
SMILESCc1nc(-c2ccc(NC(=O)C(C)CCCN)cc2)co1
InChIInChI=1S/C16H21N3O2/c1-11(4-3-9-17)16(20)19-14-7-5-13(6-8-14)15-10-21-12(2)18-15/h5-8,10-11H,3-4,9,17H2,1-2H3,(H,19,20)
InChIKeyDGQFAGLKMOBQTL-UHFFFAOYSA-N
XLogP2.96
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide
CID 80543333
5-amino-2-methyl-N-(4-phenylphenyl)pentanamide
CID 104683998
3-amino-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide
CID 60837809
5-hydroxy-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pentanamide
CID 79199388
5-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 104683445
4-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-4-oxobutanoic acid
CID 60942171
5-amino-N-[4-(ethylsulfonylamino)phenyl]-2-methylpentanamide
CID 104684256
N-(4-acetamidophenyl)-4-amino-2-methylbutanamide
CID 80542104
5-amino-2-methyl-N-(3-phenylphenyl)pentanamide
CID 143299343
5-amino-N-[4-(ethylsulfamoyl)phenyl]-2-methylpentanamide
CID 104684086
1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea
CID 95761803
5-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpentanamide
CID 104683893

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pentanamide?
The IUPAC name of 5-amino-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pentanamide (CID 104683963) is 5-amino-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pentanamide.
What is the SMILES notation for 5-amino-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pentanamide?
The canonical SMILES for 5-amino-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pentanamide is Cc1nc(-c2ccc(NC(=O)C(C)CCCN)cc2)co1.
What is the InChIKey of 5-amino-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pentanamide?
The InChIKey is DGQFAGLKMOBQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(4-3-9-17)16(20)19-14-7-5-13(6-8-14)15-10-21-12(2)18-15/h5-8,10-11H,3-4,9,17H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pentanamide?
5-amino-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pentanamide has a molecular weight of 287.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pentanamide is sourced from PubChem (CID 104683963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).