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

C14H16N2O3 — CID 2962273

IUPAC[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CC(c2ccccc2O)=NO1)N1CCCC1
InChIInChI=1S/C14H16N2O3/c17-12-6-2-1-5-10(12)11-9-13(19-15-11)14(18)16-7-3-4-8-16/h1-2,5-6,13,17H,3-4,7-9H2
InChIKeyAYQVEVCDPOXJRR-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.51
Rot. Bonds2

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

[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 2962273) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID2962273
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CC(c2ccccc2O)=NO1)N1CCCC1
InChIInChI=1S/C14H16N2O3/c17-12-6-2-1-5-10(12)11-9-13(19-15-11)14(18)16-7-3-4-8-16/h1-2,5-6,13,17H,3-4,7-9H2
InChIKeyAYQVEVCDPOXJRR-UHFFFAOYSA-N
XLogP1.51
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone (CID 2962273) is [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone is O=C(C1CC(c2ccccc2O)=NO1)N1CCCC1.
What is the InChIKey of [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is AYQVEVCDPOXJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-12-6-2-1-5-10(12)11-9-13(19-15-11)14(18)16-7-3-4-8-16/h1-2,5-6,13,17H,3-4,7-9H2.
What are the key properties of [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 260.29 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 2962273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).