1-(5-phenyl-1,2-oxazol-3-yl)-7-pyrrolidin-1-ylheptane-1,7-dione

C20H24N2O3 — CID 161225854

IUPAC1-(5-phenyl-1,2-oxazol-3-yl)-7-pyrrolidin-1-ylheptane-1,7-dione
SMILESO=C(CCCCCC(=O)N1CCCC1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H24N2O3/c23-18(11-5-2-6-12-20(24)22-13-7-8-14-22)17-15-19(25-21-17)16-9-3-1-4-10-16/h1,3-4,9-10,15H,2,5-8,11-14H2
InChIKeyUYCNHDJNRRLTCT-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.10
Rot. Bonds8

About 1-(5-phenyl-1,2-oxazol-3-yl)-7-pyrrolidin-1-ylheptane-1,7-dione

1-(5-phenyl-1,2-oxazol-3-yl)-7-pyrrolidin-1-ylheptane-1,7-dione (PubChem CID 161225854) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-(5-phenyl-1,2-oxazol-3-yl)-7-pyrrolidin-1-ylheptane-1,7-dione.

Molecular Properties

Compound Name1-(5-phenyl-1,2-oxazol-3-yl)-7-pyrrolidin-1-ylheptane-1,7-dione
PubChem CID161225854
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-(5-phenyl-1,2-oxazol-3-yl)-7-pyrrolidin-1-ylheptane-1,7-dione
SMILESO=C(CCCCCC(=O)N1CCCC1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H24N2O3/c23-18(11-5-2-6-12-20(24)22-13-7-8-14-22)17-15-19(25-21-17)16-9-3-1-4-10-16/h1,3-4,9-10,15H,2,5-8,11-14H2
InChIKeyUYCNHDJNRRLTCT-UHFFFAOYSA-N
XLogP4.10
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1,2-oxazol-3-yl)-7-pyrrolidin-1-ylheptane-1,7-dione?
The IUPAC name of 1-(5-phenyl-1,2-oxazol-3-yl)-7-pyrrolidin-1-ylheptane-1,7-dione (CID 161225854) is 1-(5-phenyl-1,2-oxazol-3-yl)-7-pyrrolidin-1-ylheptane-1,7-dione.
What is the SMILES notation for 1-(5-phenyl-1,2-oxazol-3-yl)-7-pyrrolidin-1-ylheptane-1,7-dione?
The canonical SMILES for 1-(5-phenyl-1,2-oxazol-3-yl)-7-pyrrolidin-1-ylheptane-1,7-dione is O=C(CCCCCC(=O)N1CCCC1)c1cc(-c2ccccc2)on1.
What is the InChIKey of 1-(5-phenyl-1,2-oxazol-3-yl)-7-pyrrolidin-1-ylheptane-1,7-dione?
The InChIKey is UYCNHDJNRRLTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-18(11-5-2-6-12-20(24)22-13-7-8-14-22)17-15-19(25-21-17)16-9-3-1-4-10-16/h1,3-4,9-10,15H,2,5-8,11-14H2.
What are the key properties of 1-(5-phenyl-1,2-oxazol-3-yl)-7-pyrrolidin-1-ylheptane-1,7-dione?
1-(5-phenyl-1,2-oxazol-3-yl)-7-pyrrolidin-1-ylheptane-1,7-dione has a molecular weight of 340.42 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1,2-oxazol-3-yl)-7-pyrrolidin-1-ylheptane-1,7-dione is sourced from PubChem (CID 161225854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).