5-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]pentanoic acid

C12H16N4O3 — CID 113424610

IUPAC5-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]pentanoic acid
SMILESCc1ocnc1Cn1cc(CCCCC(=O)O)nn1
InChIInChI=1S/C12H16N4O3/c1-9-11(13-8-19-9)7-16-6-10(14-15-16)4-2-3-5-12(17)18/h6,8H,2-5,7H2,1H3,(H,17,18)
InChIKeyDQZGBZAORKBBJG-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.42
Rot. Bonds7

About 5-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]pentanoic acid

5-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]pentanoic acid (PubChem CID 113424610) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]pentanoic acid.

Molecular Properties

Compound Name5-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]pentanoic acid
PubChem CID113424610
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name5-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]pentanoic acid
SMILESCc1ocnc1Cn1cc(CCCCC(=O)O)nn1
InChIInChI=1S/C12H16N4O3/c1-9-11(13-8-19-9)7-16-6-10(14-15-16)4-2-3-5-12(17)18/h6,8H,2-5,7H2,1H3,(H,17,18)
InChIKeyDQZGBZAORKBBJG-UHFFFAOYSA-N
XLogP1.42
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]propanoic acid
CID 107460628
5-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]pentanoic acid
CID 104538649
5-[1-[(4-ethylphenyl)methyl]triazol-4-yl]pentanoic acid
CID 104538791
5-[1-(1,3-thiazol-2-ylmethyl)triazol-4-yl]pentanoic acid
CID 104538769
5-[1-[(3-methylimidazol-4-yl)methyl]triazol-4-yl]pentanoic acid
CID 104538867
5-[1-[(4-bromophenyl)methyl]triazol-4-yl]pentanoic acid
CID 104538776
5-[1-[(4-fluorophenyl)methyl]triazol-4-yl]pentanoic acid
CID 104538706
5-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]pentanoic acid
CID 104538802
5-[1-(3-methylbutyl)triazol-4-yl]pentanoic acid
CID 104538635
5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazol-4-yl]pentanoic acid
CID 104538699
5-[1-(2-pyridin-2-ylethyl)triazol-4-yl]pentanoic acid
CID 104538704
5-[1-(4,4-dimethylpentyl)triazol-4-yl]pentanoic acid
CID 114210114

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]pentanoic acid?
The IUPAC name of 5-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]pentanoic acid (CID 113424610) is 5-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]pentanoic acid.
What is the SMILES notation for 5-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]pentanoic acid?
The canonical SMILES for 5-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]pentanoic acid is Cc1ocnc1Cn1cc(CCCCC(=O)O)nn1.
What is the InChIKey of 5-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]pentanoic acid?
The InChIKey is DQZGBZAORKBBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-9-11(13-8-19-9)7-16-6-10(14-15-16)4-2-3-5-12(17)18/h6,8H,2-5,7H2,1H3,(H,17,18).
What are the key properties of 5-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]pentanoic acid?
5-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]pentanoic acid has a molecular weight of 264.28 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]pentanoic acid is sourced from PubChem (CID 113424610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).