5-hexyl-3-phenyl-1,2-oxazole

C15H19NO — CID 15445646

IUPAC5-hexyl-3-phenyl-1,2-oxazole
SMILESCCCCCCc1cc(-c2ccccc2)no1
InChIInChI=1S/C15H19NO/c1-2-3-4-8-11-14-12-15(16-17-14)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3
InChIKeyHBUDBELCFXDKSI-UHFFFAOYSA-N
MW229.32 g/mol
LogP4.46
Rot. Bonds6

About 5-hexyl-3-phenyl-1,2-oxazole

5-hexyl-3-phenyl-1,2-oxazole (PubChem CID 15445646) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 5-hexyl-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-hexyl-3-phenyl-1,2-oxazole
PubChem CID15445646
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name5-hexyl-3-phenyl-1,2-oxazole
SMILESCCCCCCc1cc(-c2ccccc2)no1
InChIInChI=1S/C15H19NO/c1-2-3-4-8-11-14-12-15(16-17-14)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3
InChIKeyHBUDBELCFXDKSI-UHFFFAOYSA-N
XLogP4.46
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 54.46
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

5-hexyl-3-pyridin-3-yl-1,2-oxazole
CID 134695050
4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid
CID 102036434
2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide
CID 119314299
5-heptyl-3-methyl-1,2-oxazole
CID 57223532
N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid
CID 119135167
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]butane-1-sulfonamide
CID 71996846
3,5-dipentyl-1,2-oxazole
CID 66668490
5-benzyl-3-dodecyl-1,2-oxazole
CID 10592339
2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]pentanoic acid
CID 69223571
N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-4-carboxamide;hydrochloride
CID 119314286
4-ethoxy-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]butanamide
CID 51106000

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-3-phenyl-1,2-oxazole?
The IUPAC name of 5-hexyl-3-phenyl-1,2-oxazole (CID 15445646) is 5-hexyl-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-hexyl-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-hexyl-3-phenyl-1,2-oxazole is CCCCCCc1cc(-c2ccccc2)no1.
What is the InChIKey of 5-hexyl-3-phenyl-1,2-oxazole?
The InChIKey is HBUDBELCFXDKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-3-4-8-11-14-12-15(16-17-14)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3.
What are the key properties of 5-hexyl-3-phenyl-1,2-oxazole?
5-hexyl-3-phenyl-1,2-oxazole has a molecular weight of 229.32 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-3-phenyl-1,2-oxazole is sourced from PubChem (CID 15445646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).