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

C14H16N2O4 — CID 3158141

IUPAC[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CC(c2ccccc2O)=NO1)N1CCOCC1
InChIInChI=1S/C14H16N2O4/c17-12-4-2-1-3-10(12)11-9-13(20-15-11)14(18)16-5-7-19-8-6-16/h1-4,13,17H,5-9H2
InChIKeyGPTBCPZNNDYTFG-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.74
Rot. Bonds2

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

[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 3158141) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
PubChem CID3158141
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CC(c2ccccc2O)=NO1)N1CCOCC1
InChIInChI=1S/C14H16N2O4/c17-12-4-2-1-3-10(12)11-9-13(20-15-11)14(18)16-5-7-19-8-6-16/h1-4,13,17H,5-9H2
InChIKeyGPTBCPZNNDYTFG-UHFFFAOYSA-N
XLogP0.74
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.74
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]-morpholin-4-ylmethanone?
The IUPAC name of [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone (CID 3158141) is [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone is O=C(C1CC(c2ccccc2O)=NO1)N1CCOCC1.
What is the InChIKey of [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is GPTBCPZNNDYTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-12-4-2-1-3-10(12)11-9-13(20-15-11)14(18)16-5-7-19-8-6-16/h1-4,13,17H,5-9H2.
What are the key properties of [3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 276.29 g/mol, XLogP of 0.74, 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]-morpholin-4-ylmethanone is sourced from PubChem (CID 3158141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).