1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one

C13H20N2O2 — CID 53009590

IUPAC1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCc1noc(C)c1C1CCCN1C(=O)C(C)C
InChIInChI=1S/C13H20N2O2/c1-8(2)13(16)15-7-5-6-11(15)12-9(3)14-17-10(12)4/h8,11H,5-7H2,1-4H3
InChIKeyWHNGKSLVMBAQEO-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.61
Rot. Bonds2

About 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one

1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 53009590) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID53009590
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCc1noc(C)c1C1CCCN1C(=O)C(C)C
InChIInChI=1S/C13H20N2O2/c1-8(2)13(16)15-7-5-6-11(15)12-9(3)14-17-10(12)4/h8,11H,5-7H2,1-4H3
InChIKeyWHNGKSLVMBAQEO-UHFFFAOYSA-N
XLogP2.61
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one (CID 53009590) is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one is Cc1noc(C)c1C1CCCN1C(=O)C(C)C.
What is the InChIKey of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is WHNGKSLVMBAQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8(2)13(16)15-7-5-6-11(15)12-9(3)14-17-10(12)4/h8,11H,5-7H2,1-4H3.
What are the key properties of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one?
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 236.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 53009590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).