5-methyl-4-prop-1-enyl-2-pyrrolidin-2-yl-1,3-oxazole

C11H16N2O — CID 123684155

IUPAC5-methyl-4-prop-1-enyl-2-pyrrolidin-2-yl-1,3-oxazole
SMILESCC=Cc1nc(C2CCCN2)oc1C
InChIInChI=1S/C11H16N2O/c1-3-5-9-8(2)14-11(13-9)10-6-4-7-12-10/h3,5,10,12H,4,6-7H2,1-2H3
InChIKeyVGXXCYRHFTVCAZ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.44
Rot. Bonds2

About 5-methyl-4-prop-1-enyl-2-pyrrolidin-2-yl-1,3-oxazole

5-methyl-4-prop-1-enyl-2-pyrrolidin-2-yl-1,3-oxazole (PubChem CID 123684155) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-methyl-4-prop-1-enyl-2-pyrrolidin-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-prop-1-enyl-2-pyrrolidin-2-yl-1,3-oxazole
PubChem CID123684155
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name5-methyl-4-prop-1-enyl-2-pyrrolidin-2-yl-1,3-oxazole
SMILESCC=Cc1nc(C2CCCN2)oc1C
InChIInChI=1S/C11H16N2O/c1-3-5-9-8(2)14-11(13-9)10-6-4-7-12-10/h3,5,10,12H,4,6-7H2,1-2H3
InChIKeyVGXXCYRHFTVCAZ-UHFFFAOYSA-N
XLogP2.44
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-prop-1-enyl-2-pyrrolidin-2-yl-1,3-oxazole?
The IUPAC name of 5-methyl-4-prop-1-enyl-2-pyrrolidin-2-yl-1,3-oxazole (CID 123684155) is 5-methyl-4-prop-1-enyl-2-pyrrolidin-2-yl-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-prop-1-enyl-2-pyrrolidin-2-yl-1,3-oxazole?
The canonical SMILES for 5-methyl-4-prop-1-enyl-2-pyrrolidin-2-yl-1,3-oxazole is CC=Cc1nc(C2CCCN2)oc1C.
What is the InChIKey of 5-methyl-4-prop-1-enyl-2-pyrrolidin-2-yl-1,3-oxazole?
The InChIKey is VGXXCYRHFTVCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-5-9-8(2)14-11(13-9)10-6-4-7-12-10/h3,5,10,12H,4,6-7H2,1-2H3.
What are the key properties of 5-methyl-4-prop-1-enyl-2-pyrrolidin-2-yl-1,3-oxazole?
5-methyl-4-prop-1-enyl-2-pyrrolidin-2-yl-1,3-oxazole has a molecular weight of 192.26 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-prop-1-enyl-2-pyrrolidin-2-yl-1,3-oxazole is sourced from PubChem (CID 123684155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).