[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone

C15H16N2O3 — CID 6619182

IUPAC[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCC3)no2)cc1
InChIInChI=1S/C15H16N2O3/c1-19-12-6-4-11(5-7-12)14-10-13(16-20-14)15(18)17-8-2-3-9-17/h4-7,10H,2-3,8-9H2,1H3
InChIKeyFQNPAXNFZVBKJV-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.59
Rot. Bonds3

About [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone

[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 6619182) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID6619182
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCC3)no2)cc1
InChIInChI=1S/C15H16N2O3/c1-19-12-6-4-11(5-7-12)14-10-13(16-20-14)15(18)17-8-2-3-9-17/h4-7,10H,2-3,8-9H2,1H3
InChIKeyFQNPAXNFZVBKJV-UHFFFAOYSA-N
XLogP2.59
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone (CID 6619182) is [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone is COc1ccc(-c2cc(C(=O)N3CCCC3)no2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FQNPAXNFZVBKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-12-6-4-11(5-7-12)14-10-13(16-20-14)15(18)17-8-2-3-9-17/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 272.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 6619182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).