2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]pentanoic acid

C13H22N2O3 — CID 43631509

IUPAC2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1ncc(C(C)(C)C)o1)C(=O)O
InChIInChI=1S/C13H22N2O3/c1-5-6-9(12(16)17)14-8-11-15-7-10(18-11)13(2,3)4/h7,9,14H,5-6,8H2,1-4H3,(H,16,17)
InChIKeyRGFOFPHLJGNPKJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.32
Rot. Bonds6

About 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]pentanoic acid

2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]pentanoic acid (PubChem CID 43631509) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]pentanoic acid
PubChem CID43631509
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1ncc(C(C)(C)C)o1)C(=O)O
InChIInChI=1S/C13H22N2O3/c1-5-6-9(12(16)17)14-8-11-15-7-10(18-11)13(2,3)4/h7,9,14H,5-6,8H2,1-4H3,(H,16,17)
InChIKeyRGFOFPHLJGNPKJ-UHFFFAOYSA-N
XLogP2.32
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]pentanoic acid?
The IUPAC name of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]pentanoic acid (CID 43631509) is 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]pentanoic acid.
What is the SMILES notation for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]pentanoic acid?
The canonical SMILES for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]pentanoic acid is CCCC(NCc1ncc(C(C)(C)C)o1)C(=O)O.
What is the InChIKey of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]pentanoic acid?
The InChIKey is RGFOFPHLJGNPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-5-6-9(12(16)17)14-8-11-15-7-10(18-11)13(2,3)4/h7,9,14H,5-6,8H2,1-4H3,(H,16,17).
What are the key properties of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]pentanoic acid?
2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]pentanoic acid has a molecular weight of 254.33 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]pentanoic acid is sourced from PubChem (CID 43631509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).