4-decyl-1,2-oxazole-3-carboxylic acid

C14H23NO3 — CID 151748779

IUPAC4-decyl-1,2-oxazole-3-carboxylic acid
SMILESCCCCCCCCCCc1conc1C(=O)O
InChIInChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-9-10-12-11-18-15-13(12)14(16)17/h11H,2-10H2,1H3,(H,16,17)
InChIKeyROBPZLOPSXJNQD-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.06
Rot. Bonds10

About 4-decyl-1,2-oxazole-3-carboxylic acid

4-decyl-1,2-oxazole-3-carboxylic acid (PubChem CID 151748779) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-decyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-decyl-1,2-oxazole-3-carboxylic acid
PubChem CID151748779
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-decyl-1,2-oxazole-3-carboxylic acid
SMILESCCCCCCCCCCc1conc1C(=O)O
InChIInChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-9-10-12-11-18-15-13(12)14(16)17/h11H,2-10H2,1H3,(H,16,17)
InChIKeyROBPZLOPSXJNQD-UHFFFAOYSA-N
XLogP4.06
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.06
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

4-ethyl-1,2-oxazole-3-carboxylic acid
CID 53421780
4-oxo-1,5-dipentylpyridazine-3-carboxylic acid
CID 70483248
carbonic acid;1,2-dihexylbenzene
CID 174444225
4-butyl-3-methyl-1,2-oxazole
CID 11819147
carbonic acid;1,2-dioctylbenzene
CID 174715227
3-(methoxymethyl)-4-pentyl-1,2-oxazole
CID 67274471
4-pentyl-1H-indazole-3-carboxylic acid
CID 170458455
4-hexylpyridine-3-carboxylic acid
CID 54526352
4-ethyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 145039930
methanol;3,4,5-trihexylbenzoic acid
CID 18509998
3,4-didodecylbenzoic acid
CID 71073316
azane;2-octylbenzoic acid
CID 70171834

Frequently Asked Questions

What is the IUPAC name of 4-decyl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-decyl-1,2-oxazole-3-carboxylic acid (CID 151748779) is 4-decyl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-decyl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-decyl-1,2-oxazole-3-carboxylic acid is CCCCCCCCCCc1conc1C(=O)O.
What is the InChIKey of 4-decyl-1,2-oxazole-3-carboxylic acid?
The InChIKey is ROBPZLOPSXJNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-9-10-12-11-18-15-13(12)14(16)17/h11H,2-10H2,1H3,(H,16,17).
What are the key properties of 4-decyl-1,2-oxazole-3-carboxylic acid?
4-decyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 151748779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).