5-methyl-5-(4-methylpent-3-enyl)-4H-1,2-oxazole

C10H17NO — CID 142605480

IUPAC5-methyl-5-(4-methylpent-3-enyl)-4H-1,2-oxazole
SMILESCC(C)=CCCC1(C)CC=NO1
InChIInChI=1S/C10H17NO/c1-9(2)5-4-6-10(3)7-8-11-12-10/h5,8H,4,6-7H2,1-3H3
InChIKeyCRPBEAMNXTVSEV-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.90
Rot. Bonds3

About 5-methyl-5-(4-methylpent-3-enyl)-4H-1,2-oxazole

5-methyl-5-(4-methylpent-3-enyl)-4H-1,2-oxazole (PubChem CID 142605480) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 5-methyl-5-(4-methylpent-3-enyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-5-(4-methylpent-3-enyl)-4H-1,2-oxazole
PubChem CID142605480
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name5-methyl-5-(4-methylpent-3-enyl)-4H-1,2-oxazole
SMILESCC(C)=CCCC1(C)CC=NO1
InChIInChI=1S/C10H17NO/c1-9(2)5-4-6-10(3)7-8-11-12-10/h5,8H,4,6-7H2,1-3H3
InChIKeyCRPBEAMNXTVSEV-UHFFFAOYSA-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 5-methyl-5-(4-methylpent-3-enyl)-4H-1,2-oxazole?
The IUPAC name of 5-methyl-5-(4-methylpent-3-enyl)-4H-1,2-oxazole (CID 142605480) is 5-methyl-5-(4-methylpent-3-enyl)-4H-1,2-oxazole.
What is the SMILES notation for 5-methyl-5-(4-methylpent-3-enyl)-4H-1,2-oxazole?
The canonical SMILES for 5-methyl-5-(4-methylpent-3-enyl)-4H-1,2-oxazole is CC(C)=CCCC1(C)CC=NO1.
What is the InChIKey of 5-methyl-5-(4-methylpent-3-enyl)-4H-1,2-oxazole?
The InChIKey is CRPBEAMNXTVSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(2)5-4-6-10(3)7-8-11-12-10/h5,8H,4,6-7H2,1-3H3.
What are the key properties of 5-methyl-5-(4-methylpent-3-enyl)-4H-1,2-oxazole?
5-methyl-5-(4-methylpent-3-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 5-methyl-5-(4-methylpent-3-enyl)-4H-1,2-oxazole is sourced from PubChem (CID 142605480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).