3,5-dimethyl-4-[3-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]pyrrolidin-1-yl]-1,2-oxazole

C16H25N3O2 — CID 89358227

IUPAC3,5-dimethyl-4-[3-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]pyrrolidin-1-yl]-1,2-oxazole
SMILESC=CCO[C@@H]1CCN(C2CCN(c3c(C)noc3C)C2)C1
InChIInChI=1S/C16H25N3O2/c1-4-9-20-15-6-8-18(11-15)14-5-7-19(10-14)16-12(2)17-21-13(16)3/h4,14-15H,1,5-11H2,2-3H3/t14?,15-/m1/s1
InChIKeyIDZRIZVYDDZZQR-YSSOQSIOSA-N
MW291.39 g/mol
LogP2.15
Rot. Bonds5

About 3,5-dimethyl-4-[3-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]pyrrolidin-1-yl]-1,2-oxazole

3,5-dimethyl-4-[3-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]pyrrolidin-1-yl]-1,2-oxazole (PubChem CID 89358227) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3,5-dimethyl-4-[3-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]pyrrolidin-1-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[3-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]pyrrolidin-1-yl]-1,2-oxazole
PubChem CID89358227
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3,5-dimethyl-4-[3-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]pyrrolidin-1-yl]-1,2-oxazole
SMILESC=CCO[C@@H]1CCN(C2CCN(c3c(C)noc3C)C2)C1
InChIInChI=1S/C16H25N3O2/c1-4-9-20-15-6-8-18(11-15)14-5-7-19(10-14)16-12(2)17-21-13(16)3/h4,14-15H,1,5-11H2,2-3H3/t14?,15-/m1/s1
InChIKeyIDZRIZVYDDZZQR-YSSOQSIOSA-N
XLogP2.15
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[3-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]pyrrolidin-1-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[3-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]pyrrolidin-1-yl]-1,2-oxazole (CID 89358227) is 3,5-dimethyl-4-[3-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]pyrrolidin-1-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[3-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]pyrrolidin-1-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[3-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]pyrrolidin-1-yl]-1,2-oxazole is C=CCO[C@@H]1CCN(C2CCN(c3c(C)noc3C)C2)C1.
What is the InChIKey of 3,5-dimethyl-4-[3-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]pyrrolidin-1-yl]-1,2-oxazole?
The InChIKey is IDZRIZVYDDZZQR-YSSOQSIOSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-9-20-15-6-8-18(11-15)14-5-7-19(10-14)16-12(2)17-21-13(16)3/h4,14-15H,1,5-11H2,2-3H3/t14?,15-/m1/s1.
What are the key properties of 3,5-dimethyl-4-[3-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]pyrrolidin-1-yl]-1,2-oxazole?
3,5-dimethyl-4-[3-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]pyrrolidin-1-yl]-1,2-oxazole has a molecular weight of 291.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[3-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]pyrrolidin-1-yl]-1,2-oxazole is sourced from PubChem (CID 89358227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).