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

C14H22N2O2 — CID 50809088

IUPAC1-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCCc1onc(C)c1C1CCCN1C(=O)C(C)C
InChIInChI=1S/C14H22N2O2/c1-5-12-13(10(4)15-18-12)11-7-6-8-16(11)14(17)9(2)3/h9,11H,5-8H2,1-4H3
InChIKeyRAPSJQKAKIKFQC-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.86
Rot. Bonds3

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

1-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 50809088) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID50809088
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCCc1onc(C)c1C1CCCN1C(=O)C(C)C
InChIInChI=1S/C14H22N2O2/c1-5-12-13(10(4)15-18-12)11-7-6-8-16(11)14(17)9(2)3/h9,11H,5-8H2,1-4H3
InChIKeyRAPSJQKAKIKFQC-UHFFFAOYSA-N
XLogP2.86
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one (CID 50809088) is 1-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one is CCc1onc(C)c1C1CCCN1C(=O)C(C)C.
What is the InChIKey of 1-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is RAPSJQKAKIKFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-12-13(10(4)15-18-12)11-7-6-8-16(11)14(17)9(2)3/h9,11H,5-8H2,1-4H3.
What are the key properties of 1-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one?
1-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 250.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 50809088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).