5-cyclohexyl-2-pyrrolidin-3-yl-1,3-oxazole

C13H20N2O — CID 84685995

IUPAC5-cyclohexyl-2-pyrrolidin-3-yl-1,3-oxazole
SMILESc1nc(C2CCNC2)oc1C1CCCCC1
InChIInChI=1S/C13H20N2O/c1-2-4-10(5-3-1)12-9-15-13(16-12)11-6-7-14-8-11/h9-11,14H,1-8H2
InChIKeySLRUKJPDYTVENM-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.80
Rot. Bonds2

About 5-cyclohexyl-2-pyrrolidin-3-yl-1,3-oxazole

5-cyclohexyl-2-pyrrolidin-3-yl-1,3-oxazole (PubChem CID 84685995) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-cyclohexyl-2-pyrrolidin-3-yl-1,3-oxazole.

Molecular Properties

Compound Name5-cyclohexyl-2-pyrrolidin-3-yl-1,3-oxazole
PubChem CID84685995
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name5-cyclohexyl-2-pyrrolidin-3-yl-1,3-oxazole
SMILESc1nc(C2CCNC2)oc1C1CCCCC1
InChIInChI=1S/C13H20N2O/c1-2-4-10(5-3-1)12-9-15-13(16-12)11-6-7-14-8-11/h9-11,14H,1-8H2
InChIKeySLRUKJPDYTVENM-UHFFFAOYSA-N
XLogP2.80
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-pyrrolidin-3-yl-1,3-oxazole?
The IUPAC name of 5-cyclohexyl-2-pyrrolidin-3-yl-1,3-oxazole (CID 84685995) is 5-cyclohexyl-2-pyrrolidin-3-yl-1,3-oxazole.
What is the SMILES notation for 5-cyclohexyl-2-pyrrolidin-3-yl-1,3-oxazole?
The canonical SMILES for 5-cyclohexyl-2-pyrrolidin-3-yl-1,3-oxazole is c1nc(C2CCNC2)oc1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-2-pyrrolidin-3-yl-1,3-oxazole?
The InChIKey is SLRUKJPDYTVENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-4-10(5-3-1)12-9-15-13(16-12)11-6-7-14-8-11/h9-11,14H,1-8H2.
What are the key properties of 5-cyclohexyl-2-pyrrolidin-3-yl-1,3-oxazole?
5-cyclohexyl-2-pyrrolidin-3-yl-1,3-oxazole has a molecular weight of 220.32 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-pyrrolidin-3-yl-1,3-oxazole is sourced from PubChem (CID 84685995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).