1-[2-(2-tert-butyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine

C12H20N2O — CID 105462198

IUPAC1-[2-(2-tert-butyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine
SMILESCC(C)(C)c1nc(CCC2(N)CC2)co1
InChIInChI=1S/C12H20N2O/c1-11(2,3)10-14-9(8-15-10)4-5-12(13)6-7-12/h8H,4-7,13H2,1-3H3
InChIKeyRAFLTQWGAQAQEO-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.40
Rot. Bonds3

About 1-[2-(2-tert-butyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine

1-[2-(2-tert-butyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine (PubChem CID 105462198) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[2-(2-tert-butyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(2-tert-butyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine
PubChem CID105462198
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-[2-(2-tert-butyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine
SMILESCC(C)(C)c1nc(CCC2(N)CC2)co1
InChIInChI=1S/C12H20N2O/c1-11(2,3)10-14-9(8-15-10)4-5-12(13)6-7-12/h8H,4-7,13H2,1-3H3
InChIKeyRAFLTQWGAQAQEO-UHFFFAOYSA-N
XLogP2.40
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-tert-butyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(2-tert-butyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine (CID 105462198) is 1-[2-(2-tert-butyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(2-tert-butyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(2-tert-butyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine is CC(C)(C)c1nc(CCC2(N)CC2)co1.
What is the InChIKey of 1-[2-(2-tert-butyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine?
The InChIKey is RAFLTQWGAQAQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-11(2,3)10-14-9(8-15-10)4-5-12(13)6-7-12/h8H,4-7,13H2,1-3H3.
What are the key properties of 1-[2-(2-tert-butyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine?
1-[2-(2-tert-butyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine has a molecular weight of 208.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-tert-butyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105462198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).