2,2-dimethyl-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one

C15H24N2O2 — CID 22586737

IUPAC2,2-dimethyl-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one
SMILESCCCc1cc(C2CCCN2C(=O)C(C)(C)C)no1
InChIInChI=1S/C15H24N2O2/c1-5-7-11-10-12(16-19-11)13-8-6-9-17(13)14(18)15(2,3)4/h10,13H,5-9H2,1-4H3
InChIKeyNTZVIZIXRDORMB-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.34
Rot. Bonds3

About 2,2-dimethyl-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one

2,2-dimethyl-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 22586737) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID22586737
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2,2-dimethyl-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one
SMILESCCCc1cc(C2CCCN2C(=O)C(C)(C)C)no1
InChIInChI=1S/C15H24N2O2/c1-5-7-11-10-12(16-19-11)13-8-6-9-17(13)14(18)15(2,3)4/h10,13H,5-9H2,1-4H3
InChIKeyNTZVIZIXRDORMB-UHFFFAOYSA-N
XLogP3.34
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one (CID 22586737) is 2,2-dimethyl-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one is CCCc1cc(C2CCCN2C(=O)C(C)(C)C)no1.
What is the InChIKey of 2,2-dimethyl-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is NTZVIZIXRDORMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-7-11-10-12(16-19-11)13-8-6-9-17(13)14(18)15(2,3)4/h10,13H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one?
2,2-dimethyl-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 264.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 22586737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).