2-methyl-5-pent-4-enyl-4-phenyl-1,3-oxazole

C15H17NO — CID 45098002

IUPAC2-methyl-5-pent-4-enyl-4-phenyl-1,3-oxazole
SMILESC=CCCCc1oc(C)nc1-c1ccccc1
InChIInChI=1S/C15H17NO/c1-3-4-6-11-14-15(16-12(2)17-14)13-9-7-5-8-10-13/h3,5,7-10H,1,4,6,11H2,2H3
InChIKeyUGZADBPWGWYNOA-UHFFFAOYSA-N
MW227.31 g/mol
LogP4.16
Rot. Bonds5

About 2-methyl-5-pent-4-enyl-4-phenyl-1,3-oxazole

2-methyl-5-pent-4-enyl-4-phenyl-1,3-oxazole (PubChem CID 45098002) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-methyl-5-pent-4-enyl-4-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-5-pent-4-enyl-4-phenyl-1,3-oxazole
PubChem CID45098002
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-methyl-5-pent-4-enyl-4-phenyl-1,3-oxazole
SMILESC=CCCCc1oc(C)nc1-c1ccccc1
InChIInChI=1S/C15H17NO/c1-3-4-6-11-14-15(16-12(2)17-14)13-9-7-5-8-10-13/h3,5,7-10H,1,4,6,11H2,2H3
InChIKeyUGZADBPWGWYNOA-UHFFFAOYSA-N
XLogP4.16
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pent-4-enyl-4-phenyl-1,3-oxazole?
The IUPAC name of 2-methyl-5-pent-4-enyl-4-phenyl-1,3-oxazole (CID 45098002) is 2-methyl-5-pent-4-enyl-4-phenyl-1,3-oxazole.
What is the SMILES notation for 2-methyl-5-pent-4-enyl-4-phenyl-1,3-oxazole?
The canonical SMILES for 2-methyl-5-pent-4-enyl-4-phenyl-1,3-oxazole is C=CCCCc1oc(C)nc1-c1ccccc1.
What is the InChIKey of 2-methyl-5-pent-4-enyl-4-phenyl-1,3-oxazole?
The InChIKey is UGZADBPWGWYNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-3-4-6-11-14-15(16-12(2)17-14)13-9-7-5-8-10-13/h3,5,7-10H,1,4,6,11H2,2H3.
What are the key properties of 2-methyl-5-pent-4-enyl-4-phenyl-1,3-oxazole?
2-methyl-5-pent-4-enyl-4-phenyl-1,3-oxazole has a molecular weight of 227.31 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pent-4-enyl-4-phenyl-1,3-oxazole is sourced from PubChem (CID 45098002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).