4-(oxolan-3-yl)-2-pyrrolidin-3-yl-1,3-oxazole

C11H16N2O2 — CID 115025819

IUPAC4-(oxolan-3-yl)-2-pyrrolidin-3-yl-1,3-oxazole
SMILESc1oc(C2CCNC2)nc1C1CCOC1
InChIInChI=1S/C11H16N2O2/c1-3-12-5-8(1)11-13-10(7-15-11)9-2-4-14-6-9/h7-9,12H,1-6H2
InChIKeyVSGWURBVUZLINL-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.26
Rot. Bonds2

About 4-(oxolan-3-yl)-2-pyrrolidin-3-yl-1,3-oxazole

4-(oxolan-3-yl)-2-pyrrolidin-3-yl-1,3-oxazole (PubChem CID 115025819) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(oxolan-3-yl)-2-pyrrolidin-3-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(oxolan-3-yl)-2-pyrrolidin-3-yl-1,3-oxazole
PubChem CID115025819
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-(oxolan-3-yl)-2-pyrrolidin-3-yl-1,3-oxazole
SMILESc1oc(C2CCNC2)nc1C1CCOC1
InChIInChI=1S/C11H16N2O2/c1-3-12-5-8(1)11-13-10(7-15-11)9-2-4-14-6-9/h7-9,12H,1-6H2
InChIKeyVSGWURBVUZLINL-UHFFFAOYSA-N
XLogP1.26
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yl)-2-pyrrolidin-3-yl-1,3-oxazole?
The IUPAC name of 4-(oxolan-3-yl)-2-pyrrolidin-3-yl-1,3-oxazole (CID 115025819) is 4-(oxolan-3-yl)-2-pyrrolidin-3-yl-1,3-oxazole.
What is the SMILES notation for 4-(oxolan-3-yl)-2-pyrrolidin-3-yl-1,3-oxazole?
The canonical SMILES for 4-(oxolan-3-yl)-2-pyrrolidin-3-yl-1,3-oxazole is c1oc(C2CCNC2)nc1C1CCOC1.
What is the InChIKey of 4-(oxolan-3-yl)-2-pyrrolidin-3-yl-1,3-oxazole?
The InChIKey is VSGWURBVUZLINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-12-5-8(1)11-13-10(7-15-11)9-2-4-14-6-9/h7-9,12H,1-6H2.
What are the key properties of 4-(oxolan-3-yl)-2-pyrrolidin-3-yl-1,3-oxazole?
4-(oxolan-3-yl)-2-pyrrolidin-3-yl-1,3-oxazole has a molecular weight of 208.26 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yl)-2-pyrrolidin-3-yl-1,3-oxazole is sourced from PubChem (CID 115025819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).