5-ethyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole

C8H15NO — CID 89393428

IUPAC5-ethyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole
SMILESCCC1CC(C(C)C)=NO1
InChIInChI=1S/C8H15NO/c1-4-7-5-8(6(2)3)9-10-7/h6-7H,4-5H2,1-3H3
InChIKeyPNALBHZCZZJALJ-UHFFFAOYSA-N
MW141.21 g/mol
LogP2.20
Rot. Bonds2

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

5-ethyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole (PubChem CID 89393428) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5-ethyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-ethyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole
PubChem CID89393428
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5-ethyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole
SMILESCCC1CC(C(C)C)=NO1
InChIInChI=1S/C8H15NO/c1-4-7-5-8(6(2)3)9-10-7/h6-7H,4-5H2,1-3H3
InChIKeyPNALBHZCZZJALJ-UHFFFAOYSA-N
XLogP2.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-ethyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole (CID 89393428) is 5-ethyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-ethyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-ethyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole is CCC1CC(C(C)C)=NO1.
What is the InChIKey of 5-ethyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is PNALBHZCZZJALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-7-5-8(6(2)3)9-10-7/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-ethyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole?
5-ethyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 141.21 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 89393428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).