[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone

C21H25N3O3 — CID 24790899

IUPAC[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone
SMILESC=CCC1(CC=C)CCCN1C(=O)c1cc(COc2ccc(C)nc2)on1
InChIInChI=1S/C21H25N3O3/c1-4-9-21(10-5-2)11-6-12-24(21)20(25)19-13-18(27-23-19)15-26-17-8-7-16(3)22-14-17/h4-5,7-8,13-14H,1-2,6,9-12,15H2,3H3
InChIKeyYZXOSUCMHURRLO-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.08
Rot. Bonds8

About [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone

[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone (PubChem CID 24790899) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone
PubChem CID24790899
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone
SMILESC=CCC1(CC=C)CCCN1C(=O)c1cc(COc2ccc(C)nc2)on1
InChIInChI=1S/C21H25N3O3/c1-4-9-21(10-5-2)11-6-12-24(21)20(25)19-13-18(27-23-19)15-26-17-8-7-16(3)22-14-17/h4-5,7-8,13-14H,1-2,6,9-12,15H2,3H3
InChIKeyYZXOSUCMHURRLO-UHFFFAOYSA-N
XLogP4.08
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.08
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 [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone?
The IUPAC name of [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone (CID 24790899) is [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone is C=CCC1(CC=C)CCCN1C(=O)c1cc(COc2ccc(C)nc2)on1.
What is the InChIKey of [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone?
The InChIKey is YZXOSUCMHURRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-4-9-21(10-5-2)11-6-12-24(21)20(25)19-13-18(27-23-19)15-26-17-8-7-16(3)22-14-17/h4-5,7-8,13-14H,1-2,6,9-12,15H2,3H3.
What are the key properties of [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone?
[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone has a molecular weight of 367.45 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 24790899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).