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

C14H24N2O3 — CID 43619423

IUPAC2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NCc1ncc(C(C)(C)C)o1)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-6-7-14(5,12(17)18)16-9-11-15-8-10(19-11)13(2,3)4/h8,16H,6-7,9H2,1-5H3,(H,17,18)
InChIKeyUXCWDBZHYOACKG-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.71
Rot. Bonds6

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

2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-methylpentanoic acid (PubChem CID 43619423) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-methylpentanoic acid
PubChem CID43619423
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NCc1ncc(C(C)(C)C)o1)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-6-7-14(5,12(17)18)16-9-11-15-8-10(19-11)13(2,3)4/h8,16H,6-7,9H2,1-5H3,(H,17,18)
InChIKeyUXCWDBZHYOACKG-UHFFFAOYSA-N
XLogP2.71
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.71
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]-2-methylpentanoic acid?
The IUPAC name of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-methylpentanoic acid (CID 43619423) is 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-methylpentanoic acid is CCCC(C)(NCc1ncc(C(C)(C)C)o1)C(=O)O.
What is the InChIKey of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-methylpentanoic acid?
The InChIKey is UXCWDBZHYOACKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-6-7-14(5,12(17)18)16-9-11-15-8-10(19-11)13(2,3)4/h8,16H,6-7,9H2,1-5H3,(H,17,18).
What are the key properties of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-methylpentanoic acid?
2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-methylpentanoic acid has a molecular weight of 268.36 g/mol, XLogP of 2.71, 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]-2-methylpentanoic acid is sourced from PubChem (CID 43619423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).