5-methyl-3-(4-methylpentyl)-1,2-oxazole

C10H17NO — CID 58970609

IUPAC5-methyl-3-(4-methylpentyl)-1,2-oxazole
SMILESCc1cc(CCCC(C)C)no1
InChIInChI=1S/C10H17NO/c1-8(2)5-4-6-10-7-9(3)12-11-10/h7-8H,4-6H2,1-3H3
InChIKeyMBJBTZPDQVTXPZ-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.96
Rot. Bonds4

About 5-methyl-3-(4-methylpentyl)-1,2-oxazole

5-methyl-3-(4-methylpentyl)-1,2-oxazole (PubChem CID 58970609) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 5-methyl-3-(4-methylpentyl)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-(4-methylpentyl)-1,2-oxazole
PubChem CID58970609
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name5-methyl-3-(4-methylpentyl)-1,2-oxazole
SMILESCc1cc(CCCC(C)C)no1
InChIInChI=1S/C10H17NO/c1-8(2)5-4-6-10-7-9(3)12-11-10/h7-8H,4-6H2,1-3H3
InChIKeyMBJBTZPDQVTXPZ-UHFFFAOYSA-N
XLogP2.96
TPSA26.03 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 ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-methylpentyl)-1,2-oxazole?
The IUPAC name of 5-methyl-3-(4-methylpentyl)-1,2-oxazole (CID 58970609) is 5-methyl-3-(4-methylpentyl)-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-(4-methylpentyl)-1,2-oxazole?
The canonical SMILES for 5-methyl-3-(4-methylpentyl)-1,2-oxazole is Cc1cc(CCCC(C)C)no1.
What is the InChIKey of 5-methyl-3-(4-methylpentyl)-1,2-oxazole?
The InChIKey is MBJBTZPDQVTXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)5-4-6-10-7-9(3)12-11-10/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-methyl-3-(4-methylpentyl)-1,2-oxazole?
5-methyl-3-(4-methylpentyl)-1,2-oxazole has a molecular weight of 167.25 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-methylpentyl)-1,2-oxazole is sourced from PubChem (CID 58970609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).