3-(4-hydroxyphenyl)-1-(2-methylidenepyrrolidin-1-yl)-3-(1,2-oxazol-3-yl)propan-1-one

C17H18N2O3 — CID 143640603

IUPAC3-(4-hydroxyphenyl)-1-(2-methylidenepyrrolidin-1-yl)-3-(1,2-oxazol-3-yl)propan-1-one
SMILESC=C1CCCN1C(=O)CC(c1ccc(O)cc1)c1ccon1
InChIInChI=1S/C17H18N2O3/c1-12-3-2-9-19(12)17(21)11-15(16-8-10-22-18-16)13-4-6-14(20)7-5-13/h4-8,10,15,20H,1-3,9,11H2
InChIKeyWFHYFWQQBFOGFB-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.04
Rot. Bonds4

About 3-(4-hydroxyphenyl)-1-(2-methylidenepyrrolidin-1-yl)-3-(1,2-oxazol-3-yl)propan-1-one

3-(4-hydroxyphenyl)-1-(2-methylidenepyrrolidin-1-yl)-3-(1,2-oxazol-3-yl)propan-1-one (PubChem CID 143640603) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-1-(2-methylidenepyrrolidin-1-yl)-3-(1,2-oxazol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-1-(2-methylidenepyrrolidin-1-yl)-3-(1,2-oxazol-3-yl)propan-1-one
PubChem CID143640603
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3-(4-hydroxyphenyl)-1-(2-methylidenepyrrolidin-1-yl)-3-(1,2-oxazol-3-yl)propan-1-one
SMILESC=C1CCCN1C(=O)CC(c1ccc(O)cc1)c1ccon1
InChIInChI=1S/C17H18N2O3/c1-12-3-2-9-19(12)17(21)11-15(16-8-10-22-18-16)13-4-6-14(20)7-5-13/h4-8,10,15,20H,1-3,9,11H2
InChIKeyWFHYFWQQBFOGFB-UHFFFAOYSA-N
XLogP3.04
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-[(E)-1-azabicyclo[2.2.1]heptan-3-ylidenemethyl]-1,2-oxazol-3-yl]phenol
CID 136209439
4-[5-[(Z)-1-azabicyclo[2.2.1]heptan-3-ylidenemethyl]-1,2-oxazol-3-yl]phenol
CID 136209440
4-({2-[5-(Propan-2-YL)-1,2-oxazol-3-YL]pyrrolidin-1-YL}methyl)phenol
CID 50808712
4-{[2-(5-Propyl-1,2-oxazol-3-YL)pyrrolidin-1-YL]methyl}phenol
CID 50808735
(S)-4-Benzyl-3-((S)-3-(4-hydroxyphenyl)-3-(isoxazol-3-yl)propanoyl)oxazolidin-2-one
CID 57801829
[3-(4-Hydroxyphenyl)-5-methyl-1,2-oxazol-4-yl](pyrrolidin-1-yl)methanone
CID 137321320
3-(3-Fluorophenyl)-3-hydroxy-1-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 109955595
2-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone
CID 24241163
N-[4-(4-hydroxyphenyl)butan-2-yl]-2-(1,2-oxazol-3-yl)acetamide
CID 75393383
(1R,2R)-1-(3-phenyl-1,2-oxazol-5-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-ol
CID 9904428
4-benzyl-3-[(3S)-3-(4-hydroxyphenyl)-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one
CID 57672528
ethyl (3S)-3-(4-hydroxyphenyl)-3-(1,2-oxazol-3-yl)propanoate
CID 57835752

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-1-(2-methylidenepyrrolidin-1-yl)-3-(1,2-oxazol-3-yl)propan-1-one?
The IUPAC name of 3-(4-hydroxyphenyl)-1-(2-methylidenepyrrolidin-1-yl)-3-(1,2-oxazol-3-yl)propan-1-one (CID 143640603) is 3-(4-hydroxyphenyl)-1-(2-methylidenepyrrolidin-1-yl)-3-(1,2-oxazol-3-yl)propan-1-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-1-(2-methylidenepyrrolidin-1-yl)-3-(1,2-oxazol-3-yl)propan-1-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-1-(2-methylidenepyrrolidin-1-yl)-3-(1,2-oxazol-3-yl)propan-1-one is C=C1CCCN1C(=O)CC(c1ccc(O)cc1)c1ccon1.
What is the InChIKey of 3-(4-hydroxyphenyl)-1-(2-methylidenepyrrolidin-1-yl)-3-(1,2-oxazol-3-yl)propan-1-one?
The InChIKey is WFHYFWQQBFOGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-3-2-9-19(12)17(21)11-15(16-8-10-22-18-16)13-4-6-14(20)7-5-13/h4-8,10,15,20H,1-3,9,11H2.
What are the key properties of 3-(4-hydroxyphenyl)-1-(2-methylidenepyrrolidin-1-yl)-3-(1,2-oxazol-3-yl)propan-1-one?
3-(4-hydroxyphenyl)-1-(2-methylidenepyrrolidin-1-yl)-3-(1,2-oxazol-3-yl)propan-1-one has a molecular weight of 298.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-1-(2-methylidenepyrrolidin-1-yl)-3-(1,2-oxazol-3-yl)propan-1-one is sourced from PubChem (CID 143640603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).