3-(2-methylpropyl)-1,2-oxazole

C7H11NO — CID 21085832

IUPAC3-(2-methylpropyl)-1,2-oxazole
SMILESCC(C)Cc1ccon1
InChIInChI=1S/C7H11NO/c1-6(2)5-7-3-4-9-8-7/h3-4,6H,5H2,1-2H3
InChIKeyVPOHSRKBBFRDGN-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.87
Rot. Bonds2

About 3-(2-methylpropyl)-1,2-oxazole

3-(2-methylpropyl)-1,2-oxazole (PubChem CID 21085832) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2-methylpropyl)-1,2-oxazole
PubChem CID21085832
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3-(2-methylpropyl)-1,2-oxazole
SMILESCC(C)Cc1ccon1
InChIInChI=1S/C7H11NO/c1-6(2)5-7-3-4-9-8-7/h3-4,6H,5H2,1-2H3
InChIKeyVPOHSRKBBFRDGN-UHFFFAOYSA-N
XLogP1.87
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1,2-oxazole?
The IUPAC name of 3-(2-methylpropyl)-1,2-oxazole (CID 21085832) is 3-(2-methylpropyl)-1,2-oxazole.
What is the SMILES notation for 3-(2-methylpropyl)-1,2-oxazole?
The canonical SMILES for 3-(2-methylpropyl)-1,2-oxazole is CC(C)Cc1ccon1.
What is the InChIKey of 3-(2-methylpropyl)-1,2-oxazole?
The InChIKey is VPOHSRKBBFRDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6(2)5-7-3-4-9-8-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-1,2-oxazole?
3-(2-methylpropyl)-1,2-oxazole has a molecular weight of 125.17 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1,2-oxazole is sourced from PubChem (CID 21085832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).