2-methyl-4-propyl-1,3-oxazole

C7H11NO — CID 528406

IUPAC2-methyl-4-propyl-1,3-oxazole
SMILESCCCc1coc(C)n1
InChIInChI=1S/C7H11NO/c1-3-4-7-5-9-6(2)8-7/h5H,3-4H2,1-2H3
InChIKeyRNLOKHYLXARFPN-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.94
Rot. Bonds2

About 2-methyl-4-propyl-1,3-oxazole

2-methyl-4-propyl-1,3-oxazole (PubChem CID 528406) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-methyl-4-propyl-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-propyl-1,3-oxazole
PubChem CID528406
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-methyl-4-propyl-1,3-oxazole
SMILESCCCc1coc(C)n1
InChIInChI=1S/C7H11NO/c1-3-4-7-5-9-6(2)8-7/h5H,3-4H2,1-2H3
InChIKeyRNLOKHYLXARFPN-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propyl-1,3-oxazole?
The IUPAC name of 2-methyl-4-propyl-1,3-oxazole (CID 528406) is 2-methyl-4-propyl-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-propyl-1,3-oxazole?
The canonical SMILES for 2-methyl-4-propyl-1,3-oxazole is CCCc1coc(C)n1.
What is the InChIKey of 2-methyl-4-propyl-1,3-oxazole?
The InChIKey is RNLOKHYLXARFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-4-7-5-9-6(2)8-7/h5H,3-4H2,1-2H3.
What are the key properties of 2-methyl-4-propyl-1,3-oxazole?
2-methyl-4-propyl-1,3-oxazole has a molecular weight of 125.17 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propyl-1,3-oxazole is sourced from PubChem (CID 528406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).