3,5-dimethyl-5-[(E)-pent-2-enyl]-4H-1,2-oxazole

C10H17NO — CID 170213911

IUPAC3,5-dimethyl-5-[(E)-pent-2-enyl]-4H-1,2-oxazole
SMILESCC/C=C/CC1(C)CC(C)=NO1
InChIInChI=1S/C10H17NO/c1-4-5-6-7-10(3)8-9(2)11-12-10/h5-6H,4,7-8H2,1-3H3/b6-5+
InChIKeyIOTOZOFAJJILIE-AATRIKPKSA-N
MW167.25 g/mol
LogP2.90
Rot. Bonds3

About 3,5-dimethyl-5-[(E)-pent-2-enyl]-4H-1,2-oxazole

3,5-dimethyl-5-[(E)-pent-2-enyl]-4H-1,2-oxazole (PubChem CID 170213911) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3,5-dimethyl-5-[(E)-pent-2-enyl]-4H-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-5-[(E)-pent-2-enyl]-4H-1,2-oxazole
PubChem CID170213911
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3,5-dimethyl-5-[(E)-pent-2-enyl]-4H-1,2-oxazole
SMILESCC/C=C/CC1(C)CC(C)=NO1
InChIInChI=1S/C10H17NO/c1-4-5-6-7-10(3)8-9(2)11-12-10/h5-6H,4,7-8H2,1-3H3/b6-5+
InChIKeyIOTOZOFAJJILIE-AATRIKPKSA-N
XLogP2.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-5-[(E)-pent-2-enyl]-4H-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-5-[(E)-pent-2-enyl]-4H-1,2-oxazole (CID 170213911) is 3,5-dimethyl-5-[(E)-pent-2-enyl]-4H-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-5-[(E)-pent-2-enyl]-4H-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-5-[(E)-pent-2-enyl]-4H-1,2-oxazole is CC/C=C/CC1(C)CC(C)=NO1.
What is the InChIKey of 3,5-dimethyl-5-[(E)-pent-2-enyl]-4H-1,2-oxazole?
The InChIKey is IOTOZOFAJJILIE-AATRIKPKSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-5-6-7-10(3)8-9(2)11-12-10/h5-6H,4,7-8H2,1-3H3/b6-5+.
What are the key properties of 3,5-dimethyl-5-[(E)-pent-2-enyl]-4H-1,2-oxazole?
3,5-dimethyl-5-[(E)-pent-2-enyl]-4H-1,2-oxazole has a molecular weight of 167.25 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-5-[(E)-pent-2-enyl]-4H-1,2-oxazole is sourced from PubChem (CID 170213911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).