3-(2-propylpent-1-enyl)-1,2-oxazole

C11H17NO — CID 23269655

IUPAC3-(2-propylpent-1-enyl)-1,2-oxazole
SMILESCCCC(=Cc1ccon1)CCC
InChIInChI=1S/C11H17NO/c1-3-5-10(6-4-2)9-11-7-8-13-12-11/h7-9H,3-6H2,1-2H3
InChIKeyCKDWEALFCNEQSN-UHFFFAOYSA-N
MW179.26 g/mol
LogP3.66
Rot. Bonds5

About 3-(2-propylpent-1-enyl)-1,2-oxazole

3-(2-propylpent-1-enyl)-1,2-oxazole (PubChem CID 23269655) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-(2-propylpent-1-enyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2-propylpent-1-enyl)-1,2-oxazole
PubChem CID23269655
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-(2-propylpent-1-enyl)-1,2-oxazole
SMILESCCCC(=Cc1ccon1)CCC
InChIInChI=1S/C11H17NO/c1-3-5-10(6-4-2)9-11-7-8-13-12-11/h7-9H,3-6H2,1-2H3
InChIKeyCKDWEALFCNEQSN-UHFFFAOYSA-N
XLogP3.66
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propylpent-1-enyl)-1,2-oxazole?
The IUPAC name of 3-(2-propylpent-1-enyl)-1,2-oxazole (CID 23269655) is 3-(2-propylpent-1-enyl)-1,2-oxazole.
What is the SMILES notation for 3-(2-propylpent-1-enyl)-1,2-oxazole?
The canonical SMILES for 3-(2-propylpent-1-enyl)-1,2-oxazole is CCCC(=Cc1ccon1)CCC.
What is the InChIKey of 3-(2-propylpent-1-enyl)-1,2-oxazole?
The InChIKey is CKDWEALFCNEQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-5-10(6-4-2)9-11-7-8-13-12-11/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-(2-propylpent-1-enyl)-1,2-oxazole?
3-(2-propylpent-1-enyl)-1,2-oxazole has a molecular weight of 179.26 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propylpent-1-enyl)-1,2-oxazole is sourced from PubChem (CID 23269655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).