5-methyl-3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]hexanoic acid

C13H20N2O4 — CID 65492048

IUPAC5-methyl-3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]hexanoic acid
SMILESCc1oncc1C(=O)NCC(CC(=O)O)CC(C)C
InChIInChI=1S/C13H20N2O4/c1-8(2)4-10(5-12(16)17)6-14-13(18)11-7-15-19-9(11)3/h7-8,10H,4-6H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyGFSCQOLTUUSRPD-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.85
Rot. Bonds7

About 5-methyl-3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]hexanoic acid

5-methyl-3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]hexanoic acid (PubChem CID 65492048) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 5-methyl-3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]hexanoic acid.

Molecular Properties

Compound Name5-methyl-3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]hexanoic acid
PubChem CID65492048
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name5-methyl-3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]hexanoic acid
SMILESCc1oncc1C(=O)NCC(CC(=O)O)CC(C)C
InChIInChI=1S/C13H20N2O4/c1-8(2)4-10(5-12(16)17)6-14-13(18)11-7-15-19-9(11)3/h7-8,10H,4-6H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyGFSCQOLTUUSRPD-UHFFFAOYSA-N
XLogP1.85
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]hexanoic acid?
The IUPAC name of 5-methyl-3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]hexanoic acid (CID 65492048) is 5-methyl-3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]hexanoic acid.
What is the SMILES notation for 5-methyl-3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]hexanoic acid?
The canonical SMILES for 5-methyl-3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]hexanoic acid is Cc1oncc1C(=O)NCC(CC(=O)O)CC(C)C.
What is the InChIKey of 5-methyl-3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]hexanoic acid?
The InChIKey is GFSCQOLTUUSRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-8(2)4-10(5-12(16)17)6-14-13(18)11-7-15-19-9(11)3/h7-8,10H,4-6H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 5-methyl-3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]hexanoic acid?
5-methyl-3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]hexanoic acid has a molecular weight of 268.31 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]hexanoic acid is sourced from PubChem (CID 65492048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).