4-[(3-benzyl-1,2-oxazol-4-yl)methylamino]-5-phenylpentanoic acid

C22H24N2O3 — CID 122045771

IUPAC4-[(3-benzyl-1,2-oxazol-4-yl)methylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NCc1conc1Cc1ccccc1
InChIInChI=1S/C22H24N2O3/c25-22(26)12-11-20(13-17-7-3-1-4-8-17)23-15-19-16-27-24-21(19)14-18-9-5-2-6-10-18/h1-10,16,20,23H,11-15H2,(H,25,26)
InChIKeyXPCHSWSJYSHSRQ-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.83
Rot. Bonds10

About 4-[(3-benzyl-1,2-oxazol-4-yl)methylamino]-5-phenylpentanoic acid

4-[(3-benzyl-1,2-oxazol-4-yl)methylamino]-5-phenylpentanoic acid (PubChem CID 122045771) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is 4-[(3-benzyl-1,2-oxazol-4-yl)methylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(3-benzyl-1,2-oxazol-4-yl)methylamino]-5-phenylpentanoic acid
PubChem CID122045771
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name4-[(3-benzyl-1,2-oxazol-4-yl)methylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NCc1conc1Cc1ccccc1
InChIInChI=1S/C22H24N2O3/c25-22(26)12-11-20(13-17-7-3-1-4-8-17)23-15-19-16-27-24-21(19)14-18-9-5-2-6-10-18/h1-10,16,20,23H,11-15H2,(H,25,26)
InChIKeyXPCHSWSJYSHSRQ-UHFFFAOYSA-N
XLogP3.83
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid
CID 120511981
4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511898
4-[(2-nitrophenyl)methylamino]-5-phenylpentanoic acid
CID 122045850
4-[(4-bromophenyl)methylamino]-5-phenylpentanoic acid
CID 120512028
4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511914
4-[(5-chlorothiophen-2-yl)methylamino]-5-phenylpentanoic acid
CID 120511860
4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-5-phenylpentanoic acid
CID 122045697
4-[(2-cyclopentyloxyphenyl)methylamino]-5-phenylpentanoic acid
CID 122045704
4-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-5-phenylpentanoic acid
CID 122046059
4-[(3-chlorophenyl)methylamino]-5-phenylpentanoic acid
CID 120511853
4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid
CID 122045700

Frequently Asked Questions

What is the IUPAC name of 4-[(3-benzyl-1,2-oxazol-4-yl)methylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(3-benzyl-1,2-oxazol-4-yl)methylamino]-5-phenylpentanoic acid (CID 122045771) is 4-[(3-benzyl-1,2-oxazol-4-yl)methylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(3-benzyl-1,2-oxazol-4-yl)methylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(3-benzyl-1,2-oxazol-4-yl)methylamino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NCc1conc1Cc1ccccc1.
What is the InChIKey of 4-[(3-benzyl-1,2-oxazol-4-yl)methylamino]-5-phenylpentanoic acid?
The InChIKey is XPCHSWSJYSHSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-22(26)12-11-20(13-17-7-3-1-4-8-17)23-15-19-16-27-24-21(19)14-18-9-5-2-6-10-18/h1-10,16,20,23H,11-15H2,(H,25,26).
What are the key properties of 4-[(3-benzyl-1,2-oxazol-4-yl)methylamino]-5-phenylpentanoic acid?
4-[(3-benzyl-1,2-oxazol-4-yl)methylamino]-5-phenylpentanoic acid has a molecular weight of 364.44 g/mol, XLogP of 3.83, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-benzyl-1,2-oxazol-4-yl)methylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122045771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).