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

C8H11NO — CID 167642093

IUPAC2-(1-ethylcyclopropyl)-1,3-oxazole
SMILESCCC1(c2ncco2)CC1
InChIInChI=1S/C8H11NO/c1-2-8(3-4-8)7-9-5-6-10-7/h5-6H,2-4H2,1H3
InChIKeyZOGJJBRVZYCDSD-UHFFFAOYSA-N
MW137.18 g/mol
LogP2.12
Rot. Bonds2

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

2-(1-ethylcyclopropyl)-1,3-oxazole (PubChem CID 167642093) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-(1-ethylcyclopropyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(1-ethylcyclopropyl)-1,3-oxazole
PubChem CID167642093
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-(1-ethylcyclopropyl)-1,3-oxazole
SMILESCCC1(c2ncco2)CC1
InChIInChI=1S/C8H11NO/c1-2-8(3-4-8)7-9-5-6-10-7/h5-6H,2-4H2,1H3
InChIKeyZOGJJBRVZYCDSD-UHFFFAOYSA-N
XLogP2.12
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylcyclopropyl)-1,3-oxazole?
The IUPAC name of 2-(1-ethylcyclopropyl)-1,3-oxazole (CID 167642093) is 2-(1-ethylcyclopropyl)-1,3-oxazole.
What is the SMILES notation for 2-(1-ethylcyclopropyl)-1,3-oxazole?
The canonical SMILES for 2-(1-ethylcyclopropyl)-1,3-oxazole is CCC1(c2ncco2)CC1.
What is the InChIKey of 2-(1-ethylcyclopropyl)-1,3-oxazole?
The InChIKey is ZOGJJBRVZYCDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-8(3-4-8)7-9-5-6-10-7/h5-6H,2-4H2,1H3.
What are the key properties of 2-(1-ethylcyclopropyl)-1,3-oxazole?
2-(1-ethylcyclopropyl)-1,3-oxazole has a molecular weight of 137.18 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylcyclopropyl)-1,3-oxazole is sourced from PubChem (CID 167642093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).