2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide

C16H18FN3O2 — CID 119552872

IUPAC2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCN(C(=O)Cc1coc(-c2ccc(F)cc2)n1)C1CCNC1
InChIInChI=1S/C16H18FN3O2/c1-20(14-6-7-18-9-14)15(21)8-13-10-22-16(19-13)11-2-4-12(17)5-3-11/h2-5,10,14,18H,6-9H2,1H3
InChIKeyQNWRRLNEKKMDQQ-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.84
Rot. Bonds4

About 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide

2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide (PubChem CID 119552872) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide
PubChem CID119552872
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCN(C(=O)Cc1coc(-c2ccc(F)cc2)n1)C1CCNC1
InChIInChI=1S/C16H18FN3O2/c1-20(14-6-7-18-9-14)15(21)8-13-10-22-16(19-13)11-2-4-12(17)5-3-11/h2-5,10,14,18H,6-9H2,1H3
InChIKeyQNWRRLNEKKMDQQ-UHFFFAOYSA-N
XLogP1.84
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide (CID 119552872) is 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide is CN(C(=O)Cc1coc(-c2ccc(F)cc2)n1)C1CCNC1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is QNWRRLNEKKMDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-20(14-6-7-18-9-14)15(21)8-13-10-22-16(19-13)11-2-4-12(17)5-3-11/h2-5,10,14,18H,6-9H2,1H3.
What are the key properties of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide?
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 303.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119552872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).