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

C14H15NO — CID 12742221

IUPAC2-but-3-enyl-5-methyl-4-phenyl-1,3-oxazole
SMILESC=CCCc1nc(-c2ccccc2)c(C)o1
InChIInChI=1S/C14H15NO/c1-3-4-10-13-15-14(11(2)16-13)12-8-6-5-7-9-12/h3,5-9H,1,4,10H2,2H3
InChIKeyTUGMTGXWKOSPIF-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.77
Rot. Bonds4

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

2-but-3-enyl-5-methyl-4-phenyl-1,3-oxazole (PubChem CID 12742221) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-but-3-enyl-5-methyl-4-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-but-3-enyl-5-methyl-4-phenyl-1,3-oxazole
PubChem CID12742221
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2-but-3-enyl-5-methyl-4-phenyl-1,3-oxazole
SMILESC=CCCc1nc(-c2ccccc2)c(C)o1
InChIInChI=1S/C14H15NO/c1-3-4-10-13-15-14(11(2)16-13)12-8-6-5-7-9-12/h3,5-9H,1,4,10H2,2H3
InChIKeyTUGMTGXWKOSPIF-UHFFFAOYSA-N
XLogP3.77
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-5-methyl-4-phenyl-1,3-oxazole?
The IUPAC name of 2-but-3-enyl-5-methyl-4-phenyl-1,3-oxazole (CID 12742221) is 2-but-3-enyl-5-methyl-4-phenyl-1,3-oxazole.
What is the SMILES notation for 2-but-3-enyl-5-methyl-4-phenyl-1,3-oxazole?
The canonical SMILES for 2-but-3-enyl-5-methyl-4-phenyl-1,3-oxazole is C=CCCc1nc(-c2ccccc2)c(C)o1.
What is the InChIKey of 2-but-3-enyl-5-methyl-4-phenyl-1,3-oxazole?
The InChIKey is TUGMTGXWKOSPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-3-4-10-13-15-14(11(2)16-13)12-8-6-5-7-9-12/h3,5-9H,1,4,10H2,2H3.
What are the key properties of 2-but-3-enyl-5-methyl-4-phenyl-1,3-oxazole?
2-but-3-enyl-5-methyl-4-phenyl-1,3-oxazole has a molecular weight of 213.28 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-5-methyl-4-phenyl-1,3-oxazole is sourced from PubChem (CID 12742221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).