3-ethyl-4-methyl-5-propan-2-yl-2H-1,3-oxazole

C9H17NO — CID 129212093

IUPAC3-ethyl-4-methyl-5-propan-2-yl-2H-1,3-oxazole
SMILESCCN1COC(C(C)C)=C1C
InChIInChI=1S/C9H17NO/c1-5-10-6-11-9(7(2)3)8(10)4/h7H,5-6H2,1-4H3
InChIKeyBPHCIJRLJJZWMT-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.18
Rot. Bonds2

About 3-ethyl-4-methyl-5-propan-2-yl-2H-1,3-oxazole

3-ethyl-4-methyl-5-propan-2-yl-2H-1,3-oxazole (PubChem CID 129212093) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-ethyl-4-methyl-5-propan-2-yl-2H-1,3-oxazole.

Molecular Properties

Compound Name3-ethyl-4-methyl-5-propan-2-yl-2H-1,3-oxazole
PubChem CID129212093
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-ethyl-4-methyl-5-propan-2-yl-2H-1,3-oxazole
SMILESCCN1COC(C(C)C)=C1C
InChIInChI=1S/C9H17NO/c1-5-10-6-11-9(7(2)3)8(10)4/h7H,5-6H2,1-4H3
InChIKeyBPHCIJRLJJZWMT-UHFFFAOYSA-N
XLogP2.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-5-propan-2-yl-2H-1,3-oxazole?
The IUPAC name of 3-ethyl-4-methyl-5-propan-2-yl-2H-1,3-oxazole (CID 129212093) is 3-ethyl-4-methyl-5-propan-2-yl-2H-1,3-oxazole.
What is the SMILES notation for 3-ethyl-4-methyl-5-propan-2-yl-2H-1,3-oxazole?
The canonical SMILES for 3-ethyl-4-methyl-5-propan-2-yl-2H-1,3-oxazole is CCN1COC(C(C)C)=C1C.
What is the InChIKey of 3-ethyl-4-methyl-5-propan-2-yl-2H-1,3-oxazole?
The InChIKey is BPHCIJRLJJZWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-10-6-11-9(7(2)3)8(10)4/h7H,5-6H2,1-4H3.
What are the key properties of 3-ethyl-4-methyl-5-propan-2-yl-2H-1,3-oxazole?
3-ethyl-4-methyl-5-propan-2-yl-2H-1,3-oxazole has a molecular weight of 155.24 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-5-propan-2-yl-2H-1,3-oxazole is sourced from PubChem (CID 129212093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).