[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone

C15H19N3O3 — CID 135881511

IUPAC[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CC(c3ccccc3O)=NO2)CC1
InChIInChI=1S/C15H19N3O3/c1-17-6-8-18(9-7-17)15(20)14-10-12(16-21-14)11-4-2-3-5-13(11)19/h2-5,14,19H,6-10H2,1H3
InChIKeyXHCHTYIGXHTGNS-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.66
Rot. Bonds2

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

[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 135881511) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID135881511
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CC(c3ccccc3O)=NO2)CC1
InChIInChI=1S/C15H19N3O3/c1-17-6-8-18(9-7-17)15(20)14-10-12(16-21-14)11-4-2-3-5-13(11)19/h2-5,14,19H,6-10H2,1H3
InChIKeyXHCHTYIGXHTGNS-UHFFFAOYSA-N
XLogP0.66
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone (CID 135881511) is [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2CC(c3ccccc3O)=NO2)CC1.
What is the InChIKey of [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is XHCHTYIGXHTGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-17-6-8-18(9-7-17)15(20)14-10-12(16-21-14)11-4-2-3-5-13(11)19/h2-5,14,19H,6-10H2,1H3.
What are the key properties of [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 289.33 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 135881511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).