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

C10H14N2O4 — CID 15007130

IUPAC5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
SMILESCc1oncc1C(=O)NCCCCC(=O)O
InChIInChI=1S/C10H14N2O4/c1-7-8(6-12-16-7)10(15)11-5-3-2-4-9(13)14/h6H,2-5H2,1H3,(H,11,15)(H,13,14)
InChIKeyFZOKYEOAVXBMDA-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.97
Rot. Bonds6

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

5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid (PubChem CID 15007130) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
PubChem CID15007130
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
SMILESCc1oncc1C(=O)NCCCCC(=O)O
InChIInChI=1S/C10H14N2O4/c1-7-8(6-12-16-7)10(15)11-5-3-2-4-9(13)14/h6H,2-5H2,1H3,(H,11,15)(H,13,14)
InChIKeyFZOKYEOAVXBMDA-UHFFFAOYSA-N
XLogP0.97
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid (CID 15007130) is 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid is Cc1oncc1C(=O)NCCCCC(=O)O.
What is the InChIKey of 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is FZOKYEOAVXBMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-7-8(6-12-16-7)10(15)11-5-3-2-4-9(13)14/h6H,2-5H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid?
5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 15007130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).