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

C15H18N2O3 — CID 135973050

IUPAC2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CC(c2ccc(O)cc2)=NO1)N1CCCC1
InChIInChI=1S/C15H18N2O3/c18-12-5-3-11(4-6-12)14-9-13(20-16-14)10-15(19)17-7-1-2-8-17/h3-6,13,18H,1-2,7-10H2
InChIKeyKOOQSRKDGJGUIJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.90
Rot. Bonds3

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

2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 135973050) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-pyrrolidin-1-ylethanone
PubChem CID135973050
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CC(c2ccc(O)cc2)=NO1)N1CCCC1
InChIInChI=1S/C15H18N2O3/c18-12-5-3-11(4-6-12)14-9-13(20-16-14)10-15(19)17-7-1-2-8-17/h3-6,13,18H,1-2,7-10H2
InChIKeyKOOQSRKDGJGUIJ-UHFFFAOYSA-N
XLogP1.90
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-pyrrolidin-1-ylethanone (CID 135973050) is 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-pyrrolidin-1-ylethanone is O=C(CC1CC(c2ccc(O)cc2)=NO1)N1CCCC1.
What is the InChIKey of 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is KOOQSRKDGJGUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-12-5-3-11(4-6-12)14-9-13(20-16-14)10-15(19)17-7-1-2-8-17/h3-6,13,18H,1-2,7-10H2.
What are the key properties of 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-pyrrolidin-1-ylethanone?
2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 274.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 135973050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).