5-[(E)-hex-1-enyl]-3-methyl-4,5-dihydro-1,2-oxazole

C10H17NO — CID 162417074

IUPAC5-[(E)-hex-1-enyl]-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCCCC/C=C/C1CC(C)=NO1
InChIInChI=1S/C10H17NO/c1-3-4-5-6-7-10-8-9(2)11-12-10/h6-7,10H,3-5,8H2,1-2H3/b7-6+
InChIKeyLFVXINBZMWLTRO-VOTSOKGWSA-N
MW167.25 g/mol
LogP2.90
Rot. Bonds4

About 5-[(E)-hex-1-enyl]-3-methyl-4,5-dihydro-1,2-oxazole

5-[(E)-hex-1-enyl]-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 162417074) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 5-[(E)-hex-1-enyl]-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-[(E)-hex-1-enyl]-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID162417074
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name5-[(E)-hex-1-enyl]-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCCCC/C=C/C1CC(C)=NO1
InChIInChI=1S/C10H17NO/c1-3-4-5-6-7-10-8-9(2)11-12-10/h6-7,10H,3-5,8H2,1-2H3/b7-6+
InChIKeyLFVXINBZMWLTRO-VOTSOKGWSA-N
XLogP2.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.90
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 5-[(E)-hex-1-enyl]-3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-[(E)-hex-1-enyl]-3-methyl-4,5-dihydro-1,2-oxazole (CID 162417074) is 5-[(E)-hex-1-enyl]-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-[(E)-hex-1-enyl]-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-[(E)-hex-1-enyl]-3-methyl-4,5-dihydro-1,2-oxazole is CCCC/C=C/C1CC(C)=NO1.
What is the InChIKey of 5-[(E)-hex-1-enyl]-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is LFVXINBZMWLTRO-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-5-6-7-10-8-9(2)11-12-10/h6-7,10H,3-5,8H2,1-2H3/b7-6+.
What are the key properties of 5-[(E)-hex-1-enyl]-3-methyl-4,5-dihydro-1,2-oxazole?
5-[(E)-hex-1-enyl]-3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 167.25 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-hex-1-enyl]-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 162417074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).