2-(4-heptylphenyl)-1,3-oxazole

C16H21NO — CID 59546194

IUPAC2-(4-heptylphenyl)-1,3-oxazole
SMILESCCCCCCCc1ccc(-c2ncco2)cc1
InChIInChI=1S/C16H21NO/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)16-17-12-13-18-16/h8-13H,2-7H2,1H3
InChIKeyRCIBOADWJGCFGA-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.85
Rot. Bonds7

About 2-(4-heptylphenyl)-1,3-oxazole

2-(4-heptylphenyl)-1,3-oxazole (PubChem CID 59546194) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(4-heptylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-heptylphenyl)-1,3-oxazole
PubChem CID59546194
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-(4-heptylphenyl)-1,3-oxazole
SMILESCCCCCCCc1ccc(-c2ncco2)cc1
InChIInChI=1S/C16H21NO/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)16-17-12-13-18-16/h8-13H,2-7H2,1H3
InChIKeyRCIBOADWJGCFGA-UHFFFAOYSA-N
XLogP4.85
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(1,3-oxazol-2-yl)phenyl]butan-1-amine
CID 117308348
2-(4-butoxyphenyl)-1,3-oxazole
CID 69161830
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
2-(4-decylphenyl)-5-pentadecylpyrimidine
CID 139803474
2-(4-dodecylphenyl)-5-pentadecylpyrimidine
CID 139803541
5-hexyl-2-(4-nonylphenyl)pyrimidine
CID 14227569
5-tetradecyl-2-(4-tridecylphenyl)pyrimidine
CID 139803490
5-dodecyl-2-(4-hexylphenyl)pyrimidine
CID 139803450
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426
5-octyl-2-(4-octylphenyl)pyrimidine
CID 18544772
2-[4-(4-hexylphenyl)phenyl]-5-octylpyrimidine
CID 14178029
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858

Frequently Asked Questions

What is the IUPAC name of 2-(4-heptylphenyl)-1,3-oxazole?
The IUPAC name of 2-(4-heptylphenyl)-1,3-oxazole (CID 59546194) is 2-(4-heptylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(4-heptylphenyl)-1,3-oxazole?
The canonical SMILES for 2-(4-heptylphenyl)-1,3-oxazole is CCCCCCCc1ccc(-c2ncco2)cc1.
What is the InChIKey of 2-(4-heptylphenyl)-1,3-oxazole?
The InChIKey is RCIBOADWJGCFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)16-17-12-13-18-16/h8-13H,2-7H2,1H3.
What are the key properties of 2-(4-heptylphenyl)-1,3-oxazole?
2-(4-heptylphenyl)-1,3-oxazole has a molecular weight of 243.35 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-heptylphenyl)-1,3-oxazole is sourced from PubChem (CID 59546194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).