4-[5-(6-methylheptyl)-1,2-oxazol-3-yl]butanoic acid

C15H25NO3 — CID 169492381

IUPAC4-[5-(6-methylheptyl)-1,2-oxazol-3-yl]butanoic acid
SMILESCC(C)CCCCCc1cc(CCCC(=O)O)no1
InChIInChI=1S/C15H25NO3/c1-12(2)7-4-3-5-9-14-11-13(16-19-14)8-6-10-15(17)18/h11-12H,3-10H2,1-2H3,(H,17,18)
InChIKeyGJAICKRRAVERNT-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.84
Rot. Bonds10

About 4-[5-(6-methylheptyl)-1,2-oxazol-3-yl]butanoic acid

4-[5-(6-methylheptyl)-1,2-oxazol-3-yl]butanoic acid (PubChem CID 169492381) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[5-(6-methylheptyl)-1,2-oxazol-3-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(6-methylheptyl)-1,2-oxazol-3-yl]butanoic acid
PubChem CID169492381
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-[5-(6-methylheptyl)-1,2-oxazol-3-yl]butanoic acid
SMILESCC(C)CCCCCc1cc(CCCC(=O)O)no1
InChIInChI=1S/C15H25NO3/c1-12(2)7-4-3-5-9-14-11-13(16-19-14)8-6-10-15(17)18/h11-12H,3-10H2,1-2H3,(H,17,18)
InChIKeyGJAICKRRAVERNT-UHFFFAOYSA-N
XLogP3.84
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Methyl-1,2-oxazol-5-yl)acetic acid
CID 4195532
5-Methyl-3-isoxazolepropionic acid
CID 133360
6-(5-Heptyl-1,2-oxazol-3-yl)hexanoic acid
CID 155534755
5-(2-Methylpropyl)-1,2-oxazole-3-carboxylic acid
CID 1133642
3-(3-Methyl-1,2-oxazol-5-yl)propanoic acid
CID 10419396
3(t-Butyl)isoxazole-5-yl-acetic acid
CID 16638605
3-Methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoic acid
CID 82407338
4-(3-Methyl-1,2-oxazol-5-yl)butanoic acid
CID 82412955
2-(5-Cyclopropyl-1,2-oxazol-3-yl)acetic acid
CID 82413932
1-(3-Methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid
CID 82597269
2-(3-Methyl-1,2-oxazol-5-yl)butanoic acid
CID 82597890
2-Methyl-2-(3-methyl-1,2-oxazol-5-yl)propanoic acid
CID 83858682

Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-methylheptyl)-1,2-oxazol-3-yl]butanoic acid?
The IUPAC name of 4-[5-(6-methylheptyl)-1,2-oxazol-3-yl]butanoic acid (CID 169492381) is 4-[5-(6-methylheptyl)-1,2-oxazol-3-yl]butanoic acid.
What is the SMILES notation for 4-[5-(6-methylheptyl)-1,2-oxazol-3-yl]butanoic acid?
The canonical SMILES for 4-[5-(6-methylheptyl)-1,2-oxazol-3-yl]butanoic acid is CC(C)CCCCCc1cc(CCCC(=O)O)no1.
What is the InChIKey of 4-[5-(6-methylheptyl)-1,2-oxazol-3-yl]butanoic acid?
The InChIKey is GJAICKRRAVERNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-12(2)7-4-3-5-9-14-11-13(16-19-14)8-6-10-15(17)18/h11-12H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 4-[5-(6-methylheptyl)-1,2-oxazol-3-yl]butanoic acid?
4-[5-(6-methylheptyl)-1,2-oxazol-3-yl]butanoic acid has a molecular weight of 267.37 g/mol, XLogP of 3.84, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-methylheptyl)-1,2-oxazol-3-yl]butanoic acid is sourced from PubChem (CID 169492381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).