1-[3-[2-(4-cyclohexyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one

C20H31N3O2 — CID 56793564

IUPAC1-[3-[2-(4-cyclohexyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCN1CCCC1c1nc(C2CCCCC2)co1
InChIInChI=1S/C20H31N3O2/c24-19-10-5-12-23(19)14-6-13-22-11-4-9-18(22)20-21-17(15-25-20)16-7-2-1-3-8-16/h15-16,18H,1-14H2
InChIKeyZLIAAGQSPSMMES-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.87
Rot. Bonds6

About 1-[3-[2-(4-cyclohexyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one

1-[3-[2-(4-cyclohexyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one (PubChem CID 56793564) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[3-[2-(4-cyclohexyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[2-(4-cyclohexyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one
PubChem CID56793564
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-[3-[2-(4-cyclohexyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCN1CCCC1c1nc(C2CCCCC2)co1
InChIInChI=1S/C20H31N3O2/c24-19-10-5-12-23(19)14-6-13-22-11-4-9-18(22)20-21-17(15-25-20)16-7-2-1-3-8-16/h15-16,18H,1-14H2
InChIKeyZLIAAGQSPSMMES-UHFFFAOYSA-N
XLogP3.87
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-cyclohexyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[2-(4-cyclohexyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one (CID 56793564) is 1-[3-[2-(4-cyclohexyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[2-(4-cyclohexyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[2-(4-cyclohexyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one is O=C1CCCN1CCCN1CCCC1c1nc(C2CCCCC2)co1.
What is the InChIKey of 1-[3-[2-(4-cyclohexyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is ZLIAAGQSPSMMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c24-19-10-5-12-23(19)14-6-13-22-11-4-9-18(22)20-21-17(15-25-20)16-7-2-1-3-8-16/h15-16,18H,1-14H2.
What are the key properties of 1-[3-[2-(4-cyclohexyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one?
1-[3-[2-(4-cyclohexyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 345.49 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-cyclohexyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 56793564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).