3-tert-butyl-5-(cyclopropylmethoxy)-1,2-oxazole

C11H17NO2 — CID 139460317

IUPAC3-tert-butyl-5-(cyclopropylmethoxy)-1,2-oxazole
SMILESCC(C)(C)c1cc(OCC2CC2)on1
InChIInChI=1S/C11H17NO2/c1-11(2,3)9-6-10(14-12-9)13-7-8-4-5-8/h6,8H,4-5,7H2,1-3H3
InChIKeyPZWVXGRQWRORPS-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.76
Rot. Bonds3

About 3-tert-butyl-5-(cyclopropylmethoxy)-1,2-oxazole

3-tert-butyl-5-(cyclopropylmethoxy)-1,2-oxazole (PubChem CID 139460317) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-tert-butyl-5-(cyclopropylmethoxy)-1,2-oxazole.

Molecular Properties

Compound Name3-tert-butyl-5-(cyclopropylmethoxy)-1,2-oxazole
PubChem CID139460317
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-tert-butyl-5-(cyclopropylmethoxy)-1,2-oxazole
SMILESCC(C)(C)c1cc(OCC2CC2)on1
InChIInChI=1S/C11H17NO2/c1-11(2,3)9-6-10(14-12-9)13-7-8-4-5-8/h6,8H,4-5,7H2,1-3H3
InChIKeyPZWVXGRQWRORPS-UHFFFAOYSA-N
XLogP2.76
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(cyclopropylmethoxy)-1,2-oxazole?
The IUPAC name of 3-tert-butyl-5-(cyclopropylmethoxy)-1,2-oxazole (CID 139460317) is 3-tert-butyl-5-(cyclopropylmethoxy)-1,2-oxazole.
What is the SMILES notation for 3-tert-butyl-5-(cyclopropylmethoxy)-1,2-oxazole?
The canonical SMILES for 3-tert-butyl-5-(cyclopropylmethoxy)-1,2-oxazole is CC(C)(C)c1cc(OCC2CC2)on1.
What is the InChIKey of 3-tert-butyl-5-(cyclopropylmethoxy)-1,2-oxazole?
The InChIKey is PZWVXGRQWRORPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-11(2,3)9-6-10(14-12-9)13-7-8-4-5-8/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 3-tert-butyl-5-(cyclopropylmethoxy)-1,2-oxazole?
3-tert-butyl-5-(cyclopropylmethoxy)-1,2-oxazole has a molecular weight of 195.26 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(cyclopropylmethoxy)-1,2-oxazole is sourced from PubChem (CID 139460317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).