2-(1-ethylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole

C10H17NO — CID 71426920

IUPAC2-(1-ethylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCCC1(C2=NC(C)(C)CO2)CC1
InChIInChI=1S/C10H17NO/c1-4-10(5-6-10)8-11-9(2,3)7-12-8/h4-7H2,1-3H3
InChIKeyGIFYDUFRIOJFEI-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.38
Rot. Bonds2

About 2-(1-ethylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole

2-(1-ethylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 71426920) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-(1-ethylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(1-ethylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID71426920
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-(1-ethylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCCC1(C2=NC(C)(C)CO2)CC1
InChIInChI=1S/C10H17NO/c1-4-10(5-6-10)8-11-9(2,3)7-12-8/h4-7H2,1-3H3
InChIKeyGIFYDUFRIOJFEI-UHFFFAOYSA-N
XLogP2.38
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(1-ethylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole (CID 71426920) is 2-(1-ethylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(1-ethylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(1-ethylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole is CCC1(C2=NC(C)(C)CO2)CC1.
What is the InChIKey of 2-(1-ethylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is GIFYDUFRIOJFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-10(5-6-10)8-11-9(2,3)7-12-8/h4-7H2,1-3H3.
What are the key properties of 2-(1-ethylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(1-ethylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 167.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 71426920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).