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

C16H21N3O2 — CID 106370852

IUPAC4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide
SMILESCCc1cnc(CNC(=O)CCC(N)c2ccccc2)o1
InChIInChI=1S/C16H21N3O2/c1-2-13-10-19-16(21-13)11-18-15(20)9-8-14(17)12-6-4-3-5-7-12/h3-7,10,14H,2,8-9,11,17H2,1H3,(H,18,20)
InChIKeyIUIHLXKABQJZRK-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.33
Rot. Bonds7

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

4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide (PubChem CID 106370852) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide
PubChem CID106370852
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide
SMILESCCc1cnc(CNC(=O)CCC(N)c2ccccc2)o1
InChIInChI=1S/C16H21N3O2/c1-2-13-10-19-16(21-13)11-18-15(20)9-8-14(17)12-6-4-3-5-7-12/h3-7,10,14H,2,8-9,11,17H2,1H3,(H,18,20)
InChIKeyIUIHLXKABQJZRK-UHFFFAOYSA-N
XLogP2.33
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371001
4-amino-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-oxopentanoic acid
CID 106371131
2-(2-aminophenoxy)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106368467
2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106368469
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide
CID 106370868
4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide
CID 114332251
6-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylheptanamide
CID 106371015
2-(4-aminopyrazol-1-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 114179908
2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,3-dimethylbutanamide
CID 106370818
4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 55205488
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-1-phenylbutan-1-amine
CID 103912804
2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanediamide
CID 106370829

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide?
The IUPAC name of 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide (CID 106370852) is 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide is CCc1cnc(CNC(=O)CCC(N)c2ccccc2)o1.
What is the InChIKey of 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide?
The InChIKey is IUIHLXKABQJZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-13-10-19-16(21-13)11-18-15(20)9-8-14(17)12-6-4-3-5-7-12/h3-7,10,14H,2,8-9,11,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide?
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide has a molecular weight of 287.36 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide is sourced from PubChem (CID 106370852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).